SCHEMBL5201018

SCHEMBL5201018

NC(=O)C(O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.60
MAPT P10636 1/20 0.60
KMT2A Q03164 1/20 0.60
TSHR P16473 1/20 0.55
ALDH1A1 P00352 5/20 0.54
HPGD P15428 1/20 0.54
KDM4E B2RXH2 1/20 0.50
LMNA P02545 1/20 0.50
GAA P10253 1/20 0.50
CA1 P00915 3/20 0.49
CA2 P00918 3/20 0.49
NPC1 O15118 1/20 0.49
CA12 O43570 1/20 0.49
CA9 Q16790 1/20 0.49
CA14 Q9ULX7 1/20 0.49
CES1 P23141 1/20 0.48
PLAU P00749 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
NOS1 P29475 1/20 0.46
MAPK1 P28482 1/20 0.46

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
SCHEMBL5156314 0.82 MEN1 (0.62) MEN1MAPTKMT2ATSHRALDH1A1
SCHEMBL10170602 0.82 MEN1 (0.62) MEN1MAPTKMT2ATSHRALDH1A1
SCHEMBL3749117 0.82 MEN1 (0.62) MEN1MAPTKMT2ATSHRALDH1A1
SCHEMBL6249125 0.81 CYP3A4 (0.55) MEN1MAPTKMT2ATSHRALDH1A1
SCHEMBL350056 0.79 TSHR (0.53) MEN1MAPTKMT2ATSHRALDH1A1
SCHEMBL11770993 0.79 TSHR (0.53) MEN1MAPTKMT2ATSHRALDH1A1
SCHEMBL7475129 0.79 TSHR (0.53) MEN1MAPTKMT2ATSHRALDH1A1
SCHEMBL30692971 0.79 MEN1 (0.58) MEN1MAPTKMT2ATSHRALDH1A1
SCHEMBL5676207 0.79 KMT2A (0.55) MEN1MAPTKMT2ATSHRALDH1A1
SCHEMBL964066 0.79 KMT2A (0.55) MEN1MAPTKMT2ATSHRALDH1A1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1819672-A1 INDOLE-2-CARBOXYLIC ACID AMIDES Prosidion Limited (GB) 2007-08-22 EP disclosed
WO-2006056815-A1 INDOLE-2-CARBOXYLIC ACID AMIDES PROSIDION LIMITED (GB) 2006-06-01 WO disclosed
EP-0296597-B1 Hexa-cyclic compound DAIICHI SEIYAKU CO (JP) 1994-09-21 EP disclosed
US-5061795-A ANTITUMOR AGENTS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1991-10-29 US disclosed
US-4939255-A Hexa-cyclic camptothecin derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1990-07-03 US disclosed
EP-0296597-A2 Hexa-cyclic compound DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1988-12-28 EP disclosed