SCHEMBL4073172

SCHEMBL4073172

NC(=O)c1ccc(CCBr)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G10 O15496 1/20 0.53
PLA2G2A P14555 1/20 0.53
PARP10 Q53GL7 7/20 0.50
CYP17A1 P05093 1/20 0.46
PARP4 Q9UKK3 2/20 0.45
ALDH1A1 P00352 1/20 0.45
KMT2A Q03164 1/20 0.45
PARP15 Q460N3 1/20 0.45
PARP14 Q460N5 1/20 0.45
PARP16 Q8N5Y8 1/20 0.45
PARP11 Q9NR21 1/20 0.45
PARP1 P09874 3/20 0.44
TDP1 Q9NUW8 2/20 0.44
POLB P06746 1/20 0.44
CYP3A4 P08684 1/20 0.44
MAPT P10636 1/20 0.44
TSHR P16473 1/20 0.44
CYP2C19 P33261 1/20 0.44
RECQL P46063 1/20 0.44
BLM P54132 1/20 0.44

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
SCHEMBL29222811 0.88 PLA2G10 (0.50) PLA2G10PLA2G2APARP10CYP17A1PARP4
SCHEMBL27961330 0.82 TDP1 (0.48) ALDH1A1KMT2ATDP1POLBMAPT
SCHEMBL11612824 0.82 TDP1 (0.48) ALDH1A1KMT2ATDP1POLBCYP2C19
SCHEMBL61340 0.82 CES2 (0.57) PLA2G10PLA2G2APARP10CYP17A1PARP4
SCHEMBL2633786 0.80 PLA2G10 (0.55) PLA2G10PLA2G2APARP10CYP17A1PARP4
Hydrochloric Acid SCHEMBL15021131 0.80 CES2 (0.55) PLA2G10PLA2G2APARP10CYP17A1PARP4
SCHEMBL8867699 0.80 PLA2G10 (0.55) PLA2G10PLA2G2APARP10CYP17A1PARP4
SCHEMBL83677 0.80 ALDH1A1 (0.56) ALDH1A1KMT2ATDP1POLBMAPT
SCHEMBL2861358 0.80 PLA2G10 (0.55) PLA2G10PLA2G2APARP10CYP17A1PARP4
SCHEMBL5536952 0.78 PLA2G10 (0.53) PLA2G10PLA2G2APARP10CYP17A1PARP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105073742-A Flap modulators JANSSEN PHARMACEUTICA NV 2015-11-18 CN disclosed
CN-105001226-A Tricycle heterocyclic compounds and JAK inhibitors NISSAN CHEMICAL IND LTD 2015-10-28 CN disclosed
CN-104487433-A Triazolone compounds as mpges-1 inhibitors GLENMARK PHARMACEUTICALS SA 2015-04-01 CN disclosed
CN-103889976-A Indazole compounds, compositions and methods of use HOFFMANN LA ROCHE 2014-06-25 CN disclosed
CN-103732597-A Tricyclic heterocyclic compounds and JAK inhibitors NISSAN CHEMICAL IND LTD 2014-04-16 CN disclosed
CN-101035765-B Sulfonamide derivatives HOFFMANN LA ROCHE 2010-10-13 CN disclosed
CN-101747324-A Sulfonamide derivatives HOFFMANN LA ROCHE 2010-06-23 CN disclosed
US-7488748-B2 3,6-Disubstituted azabicyclo hexane derivatives as muscarinic receptor antagonists RANBAXY LABORATORIES LIMITED (IN) 2009-02-10 US disclosed
CN-101035765-A Sulfonamide derivatives HOFFMANN LA ROCHE (CH) 2007-09-12 CN disclosed
CN-101031541-A 4-aminomethyl benzamidine derivatives and their use as factor VIIIa inhibitors HOFFMANN LA ROCHE (CH) 2007-09-05 CN disclosed
EP-0505376-B1 MUSCARINIC RECEPTOR ANTAGONISTS PFIZER LTD (GB) 1994-12-07 EP disclosed
US-5340831-A Muscarinic receptor antagonists PFIZER INC. (US) 1994-08-23 US disclosed
EP-0505376-A1 MUSCARINIC RECEPTOR ANTAGONISTS. PFIZER LTD (GB) 1992-09-30 EP disclosed
EP-0441852-A1 MUSCARINIC RECEPTOR ANTAGONISTS. PFIZER LTD (GB) 1991-08-21 EP disclosed
CN-1052672-A Benzofuran derivative GLAXO GROUP LTD (GB) 1991-07-03 CN disclosed
WO-1991009013-A1 MUSCARINIC RECEPTOR ANTAGONISTS PFIZER LIMITED (GB) 1991-06-27 WO disclosed
EP-0376358-A1 Muscarinic receptor antagonists PFIZER INC. (US) 1990-07-04 EP disclosed
WO-1990005133-A1 MUSCARINIC RECEPTOR ANTAGONISTS PFIZER LIMITED (GB) 1990-05-17 WO disclosed
CN-1041583-A MUSCARMIC RECEPTOR ANTAGONISTS PFIZER (US) 1990-04-25 CN disclosed
CN-1033627-A New-N-[1-(thienyl) ethyl] sulfonamide derivatives and contain the weedicide that this compound is an effective ingredient DAIKIN INUDSTRIES LTD (JP) 1989-07-05 CN disclosed