SCHEMBL6529301

SCHEMBL6529301

Cc1ccc2[nH]c(-c3ccc(NC(=O)Nc4ccc(-c5nc6cc(C)ccc6[nH]5)cc4)cc3)nc2c1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPSE Q9Y251 10/20 0.81
MMP2 P08253 3/20 0.60
MMP9 P14780 3/20 0.60
MMP8 P22894 3/20 0.60
MMP13 P45452 3/20 0.60
SMN1; SMN2 Q16637 6/20 0.56
KDM4E B2RXH2 5/20 0.56
NPC1 O15118 5/20 0.56
RAB9A P51151 5/20 0.56
MAPT P10636 5/20 0.56
ALDH1A1 P00352 4/20 0.56
HPGD P15428 4/20 0.56
POLB P06746 3/20 0.56
KMT2A Q03164 3/20 0.56
CASP3 P42574 1/20 0.56
SENP8 Q96LD8 1/20 0.56
HSD17B10 Q99714 1/20 0.56
SENP7 Q9BQF6 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
EGFR P00533 1/20 0.55

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
SCHEMBL27202458 0.91 HPSE (0.67) HPSEMMP2MMP9MMP8MMP13
SCHEMBL6526357 0.90 MMP2 (0.70) HPSEMMP2MMP9MMP8MMP13
SCHEMBL27202548 0.87 HPSE (0.62) HPSEMMP2MMP9MMP8MMP13
SCHEMBL27202482 0.86 HPSE (0.61) HPSEMMP2MMP9MMP8MMP13
SCHEMBL27202474 0.85 NPC1 (0.63) HPSEMMP2MMP9MMP8MMP13
SCHEMBL6528395 0.85 HPSE (0.68) HPSEMMP2MMP9MMP8MMP13
SCHEMBL6530825 0.85 HPSE (1.00) HPSEMMP2MMP9MMP8MMP13
SCHEMBL15702617 0.84 MMP2 (0.64) HPSEMMP2MMP9MMP8MMP13
SCHEMBL15702635 0.84 MMP2 (0.61) HPSEMMP2MMP9MMP8MMP13
SCHEMBL14494924 0.84 NPC1 (0.60) HPSEMMP2MMP9MMP8MMP13

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-2005042495-A1 (BENZIMIDAZOL-2-YL)-PHENYL-PHENYL-UREA COMPOUNDS AND METHODS FOR INHIBITING HEPARANASE ACTIVITY IMCLONE SYSTEMS INCORPORATED (US) 2005-05-12 WO disclosed