SCHEMBL6506649

SCHEMBL6506649

Cc1ccc2[nH]c(-c3ccc(NC(=O)Nc4ccc(-c5nc6ccccc6[nH]5)cc4)cc3)nc2c1C

nearest known ligand 0.80

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HPSE Q9Y251 12/20 0.80
▸ MMP2 P08253 2/20 0.58
▸ MMP9 P14780 2/20 0.58
▸ MMP8 P22894 2/20 0.58
▸ MMP13 P45452 2/20 0.58
▸ NPC1 O15118 3/20 0.57
▸ RAB9A P51151 3/20 0.57
▸ KDM4E B2RXH2 3/20 0.57
▸ ALDH1A1 P00352 2/20 0.57
▸ SMN1; SMN2 Q16637 2/20 0.57
▸ TP53 P04637 1/20 0.57
▸ HPGD P15428 1/20 0.57
▸ HSD17B10 Q99714 1/20 0.57
▸ KMT2A Q03164 1/20 0.55
▸ ADRB2 P07550 1/20 0.53
▸ MAPT P10636 1/20 0.53

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
SCHEMBL943034 0.86 HPSE (1.00) HPSEMMP2MMP9MMP8MMP13
SCHEMBL6533676 0.86 HPSE (1.00) HPSEMMP2MMP9MMP8MMP13
SCHEMBL6528618 0.85 HPSE (0.77) HPSENPC1RAB9AKDM4EALDH1A1
SCHEMBL6532513 0.82 HPSE (0.87) HPSEMMP2MMP9MMP8MMP13
SCHEMBL6527816 0.81 HPSE (1.00) HPSEMMP2MMP9MMP8MMP13
SCHEMBL6529350 0.81 HPSE (1.00) HPSEMMP2MMP9MMP8NPC1
SCHEMBL6885365 0.80 NPC1 (0.61) HPSENPC1RAB9AKDM4EALDH1A1
SCHEMBL6503052 0.80 HPSE (0.87) HPSEMMP2MMP9MMP8MMP13
SCHEMBL6506352 0.80 HPSE (0.87) HPSEMMP2MMP9MMP8MMP13
SCHEMBL6528576 0.79 HPSE (0.82) 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
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