SCHEMBL8922768

SCHEMBL8922768

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

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.62
NPC1 O15118 3/20 0.62
TP53 P04637 1/20 0.62
SMN1; SMN2 Q16637 1/20 0.62
CA2 P00918 3/20 0.59
CA1 P00915 2/20 0.59
TDP1 Q9NUW8 1/20 0.53
MEN1 O00255 4/20 0.52
KMT2A Q03164 4/20 0.52
MAPT P10636 4/20 0.52
HTT P42858 1/20 0.52
MAPK1 P28482 1/20 0.51
POLB P06746 2/20 0.51
ALDH1A1 P00352 2/20 0.51
ALOX12 P18054 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.50
CA12 O43570 1/20 0.50
CA9 Q16790 1/20 0.50
MITF O75030 1/20 0.50
CES1 P23141 1/20 0.50

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
SCHEMBL6436191 1.00 RAB9A (0.62) RAB9ANPC1TP53SMN1; SMN2CA2
SCHEMBL31530471 0.86 RAB9A (0.57) RAB9ANPC1TP53SMN1; SMN2MEN1
SCHEMBL4488971 0.85 RAB9A (0.62) RAB9ANPC1TP53SMN1; SMN2CA2
SCHEMBL11103438 0.84 CA2 (0.71) RAB9ANPC1SMN1; SMN2CA2CA1
SCHEMBL11103451 0.84 CA2 (0.71) RAB9ANPC1SMN1; SMN2CA2CA1
SCHEMBL10820796 0.84 ALOX5 (0.53) RAB9ASMN1; SMN2CA2CA1MEN1
SCHEMBL789411 0.84 ALOX5 (0.53) RAB9ASMN1; SMN2CA2CA1MEN1
SCHEMBL11163745 0.83 RAB9A (0.61) RAB9ANPC1TP53SMN1; SMN2CA2
SCHEMBL5501691 0.82 RAB9A (0.59) RAB9ANPC1TP53SMN1; SMN2CA2
SCHEMBL2251023 0.82 KMT2A (0.58) TP53SMN1; SMN2MEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-9124595-A None JP disclosed
JP-6107602-A None JP disclosed
JP-H09124595-A REAGENT FOR OPTICAL RESOLUTION AND PRODUCTION OF OPTICALLY ACTIVE 3-AMINOPYRROLIDINE DERIVATIVE TORAY IND INC 1997-05-13 JP disclosed
JP-H06107602-A PRODUCTION OF OPTICALLY ACTIVE 1-PHENYLETHYLAMINE TORAY IND INC 1994-04-19 JP disclosed
US-4412992-A 2-Hydroxy-5-phenylazobenzoic acid derivatives and method of treating ulcerative colitis therewith BIOREX LABORATORIES LIMITED (GB) 1983-11-01 US disclosed