SCHEMBL2928829

SCHEMBL2928829

COC(OC)c1cc(Cl)ccc1[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.53
TSHR P16473 1/20 0.53
LMNA P02545 2/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 4/20 0.43
S1PR4 O95977 2/20 0.43
JAK2 O60674 1/20 0.43
HSP90AA1 P07900 1/20 0.43
S1PR1 P21453 1/20 0.43
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
VCAM1 P19320 1/20 0.42
ALDH1A1 P00352 4/20 0.42
TDP1 Q9NUW8 2/20 0.41
PDE7A Q13946 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
ALPG P10696 1/20 0.40
PKM P14618 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TXNRD1 Q16881 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL12418984 0.85 TSHR (0.51) MAPK1TSHRLMNAPOLBMAPT
SCHEMBL10686176 0.83 TDP1 (0.63) MAPK1TSHRLMNAMAPTS1PR4
SCHEMBL9700761 0.83 TSHR (0.49) MAPK1TSHRLMNAPOLBMAPT
SCHEMBL13176425 0.81 MAPK1 (0.47) MAPK1TSHRLMNAPOLBMAPT
SCHEMBL13875029 0.81 MAPK1 (0.58) MAPK1TSHRLMNAPOLBMAPT
SCHEMBL5197881 0.80 ALDH1A1 (0.40) TSHRLMNAMAPTHTTALDH1A1
SCHEMBL11287458 0.80 TDP1 (0.53) MAPK1TSHRLMNAMAPTHTT
SCHEMBL7141803 0.80 ALDH1A1 (0.43) MAPK1TSHRMAPTNPSR1ALDH1A1
SCHEMBL7684242 0.78 ALDH1A1 (0.64) MAPK1TSHRLMNAMAPTALDH1A1
SCHEMBL4573202 0.78 MAPK1 (0.44) MAPK1TSHRLMNAPOLBMAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 52 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8524194-B2 Radiolabelled MMP selective compounds ACADEMISCH MEDISCH CENTRUM BIJ DE UNIVERSITEIT VAN AMSTERDAM (NL) 2013-09-03 US disclosed
US-8436006-B2 2-amino-quinazoline derivatives useful as inhibitors of β-secretase (BACE) JANSSSEN PHARMACEUTICA N.V. (BE) 2013-05-07 US disclosed
US-8436006-B2 2-amino-quinazoline derivatives useful as inhibitors of β-secretase (BACE) JANSSSEN PHARMACEUTICA N.V. (BE) 2013-05-07 US disclosed
US-8426429-B2 2-amino-quinazoline derivatives useful as inhibitors of β-secretase (BACE) JANSSSEN PHARMACEUTICA N.V. (BE) 2013-04-23 US disclosed
US-8426429-B2 2-amino-quinazoline derivatives useful as inhibitors of β-secretase (BACE) JANSSSEN PHARMACEUTICA N.V. (BE) 2013-04-23 US disclosed
US-8426429-B2 2-amino-quinazoline derivatives useful as inhibitors of β-secretase (BACE) JANSSSEN PHARMACEUTICA N.V. (BE) 2013-04-23 US disclosed
US-8383637-B2 2-amino-quinazoline derivatives useful as inhibitors of β-secretase (BACE) JANSSSEN PHARMACEUTICA N.V. (BE) 2013-02-26 US disclosed
US-8383637-B2 2-amino-quinazoline derivatives useful as inhibitors of β-secretase (BACE) JANSSSEN PHARMACEUTICA N.V. (BE) 2013-02-26 US disclosed
US-8383637-B2 2-amino-quinazoline derivatives useful as inhibitors of β-secretase (BACE) JANSSSEN PHARMACEUTICA N.V. (BE) 2013-02-26 US disclosed
CN-101035772-B 2-amino-quinazoline derivatives useful as inhibitors of beta-secretase (BACE) JANSSEN PHARMACEUTICA N.V. (BE) 2011-12-14 CN disclosed
US-5120845-A Treating congestive heart failure JANSSEN PHARMACEUTICA N.V. (BE) 1992-06-09 US disclosed
US-5071856-A CARBOSTYRIL DERIVATIVES AND SALTS THEREOF OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-12-10 US disclosed
US-5043327-A Treating mammals with congestive heart failure JANSSEN PHARMACEUTICA N.V. (BE) 1991-08-27 US disclosed
US-5037829-A Antitumor Activity; Androgen, Estrogen Inhibitors; Suppress The Plasma Elimination Of Retinoids JANSSEN PHARMACEUTICA N.V. (BE) 1991-08-06 US disclosed
EP-0406958-A2 Positive inotropic and lusitropic 3,5-dihydroimidazo[2,1-b]quinazolin-2(1H)-one derivatives JANSSEN PHARMACEUTICA N.V. (BE) 1991-01-09 EP disclosed
EP-0371564-A2 (1H-azol-1-ylmethyl)substituted quinoline, quinazoline or quinoxaline derivatives JANSSEN PHARMACEUTICA N.V. (BE) 1990-06-06 EP disclosed
US-4886809-A CARDIOTONIC AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1989-12-12 US disclosed
US-4744812-A HALOGENATED DIPHENYL ETHER BASF AKTIENGESELLSCHAFT (DE) 1988-05-17 US disclosed
EP-0255134-A2 Carbostyril derivatives and salts thereof, process for preparing them, and cardiotonic composition containing same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1988-02-03 EP disclosed
EP-0056119-A1 Substituted diphenyl ethers, herbicides containing them and their use as herbicides BASF Aktiengesellschaft (DE) 1982-07-21 EP disclosed