SCHEMBL20520508

SCHEMBL20520508

CC(=O)NC(C(=O)O)c1cnc[nH]1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CPB2 Q96IY4 13/20 0.47
CPB1 P15086 5/20 0.44
CPA1 P15085 1/20 0.44
QPCT Q16769 1/20 0.41
QPCTL Q9NXS2 1/20 0.41
CYP17A1 P05093 1/20 0.40
HRH4 Q9H3N8 1/20 0.39
HRH3 Q9Y5N1 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
SCHEMBL27304198 0.81 CPB2 (0.46) CPB2CPB1CPA1
SCHEMBL17662386 0.76 CPB2 (0.46) CPB2CPB1CPA1QPCTQPCTL
SCHEMBL17859451 0.75 CPB2 (0.47) CPB2CPB1CPA1HRH4HRH3
SCHEMBL5912570 0.73 CPB2 (0.54) CPB2CPB1CPA1HRH4HRH3
SCHEMBL24328256 0.72 CPB2 (0.47) CPB2CPB1CPA1HRH4HRH3
SCHEMBL24328902 0.72 CPB2 (0.47) CPB2CPB1CPA1HRH4HRH3
SCHEMBL21686619 0.70 CPA1 (0.51) CPB2CPB1CPA1HRH4HRH3
SCHEMBL468830 0.70 ITGB2 (0.64) CPB2QPCTQPCTL
SCHEMBL6026427 0.70 ITGB2 (0.64) CPB2QPCTQPCTL
SCHEMBL15683044 0.70 ITGB2 (0.64) CPB2QPCTQPCTL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018177860-A1 2-(4-(4-(BROMO-METHOXYBENZAMIDO)BENZYLAMINO)PHENYL)BENZAZOLE DERIVATIVES AND THEIR USE AS ANTI-HEPARANASE LEADIANT BIOSCIENCES SA IN LIQUIDAZIONE (CH) 2018-10-04 WO disclosed