SCHEMBL6528618

SCHEMBL6528618

Cc1ccc2[nH]c(-c3ccc(NC(=O)Nc4ccc(-c5nc6ncccc6[nH]5)cc4)cc3)nc2c1C

nearest known ligand 0.77

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HPSE Q9Y251 9/20 0.77
PRMT5 O14744 1/20 0.60
KDM4E B2RXH2 1/20 0.55
NPC1 O15118 1/20 0.55
ALDH1A1 P00352 1/20 0.55
TP53 P04637 1/20 0.55
HPGD P15428 1/20 0.55
RAB9A P51151 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
HSD17B10 Q99714 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
SCHEMBL6506649 0.85 HPSE (0.80) HPSEKDM4ENPC1ALDH1A1TP53
SCHEMBL6529592 0.81 HPSE (1.00) HPSEPRMT5
SCHEMBL6258154 0.81 HPSE (0.81) HPSEPRMT5KDM4ENPC1ALDH1A1
SCHEMBL6529350 0.79 HPSE (1.00) HPSEKDM4ENPC1ALDH1A1TP53
SCHEMBL6244081 0.75 PRMT5 (1.00) HPSEPRMT5NPC1RAB9A
SCHEMBL11770396 0.72 AURKA (0.70) HPSEPRMT5NPC1HPGDRAB9A
SCHEMBL6529731 0.72 HPSE (0.78) HPSEKDM4ENPC1ALDH1A1TP53
SCHEMBL14022276 0.71 HPSE (0.65) HPSEPRMT5
SCHEMBL6529477 0.71 HPSE (1.00) HPSEKDM4ENPC1ALDH1A1TP53
SCHEMBL13405867 0.71 KDM4E (1.00) HPSEKDM4ENPC1ALDH1A1TP53

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