SCHEMBL6508327

SCHEMBL6508327

COc1ccc(CNc2ccc(NC(=O)Nc3ccc(-c4nc5ccccc5[nH]4)cc3)cc2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPSE Q9Y251 8/20 0.66
HIF1A Q16665 1/20 0.64
KDM4E B2RXH2 3/20 0.60
ALDH1A1 P00352 3/20 0.60
NPC1 O15118 2/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
PKM P14618 1/20 0.60
RAB9A P51151 1/20 0.60
MEN1 O00255 2/20 0.56
POLB P06746 2/20 0.56
KMT2A Q03164 2/20 0.56
MAPT P10636 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
TDP1 Q9NUW8 1/20 0.54
COMT P21964 1/20 0.54
NTRK1 P04629 1/20 0.54
MMP2 P08253 1/20 0.53
MMP9 P14780 1/20 0.53
MMP8 P22894 1/20 0.53
MMP13 P45452 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
SCHEMBL6530157 0.85 HPSE (0.77) HPSEKDM4EALDH1A1NPC1SMN1; SMN2
SCHEMBL6529336 0.84 HPSE (0.73) HPSEKDM4EALDH1A1NPC1SMN1; SMN2
SCHEMBL6528477 0.83 HDAC3 (0.62) HPSEKDM4EALDH1A1NPC1SMN1; SMN2
SCHEMBL6532368 0.82 HDAC3 (0.64) HPSEKDM4EALDH1A1NPC1SMN1; SMN2
SCHEMBL6529482 0.82 HPSE (0.59) HPSEKDM4EALDH1A1NPC1SMN1; SMN2
SCHEMBL6514739 0.81 MMP2 (0.80) HPSEKDM4EALDH1A1NPC1SMN1; SMN2
SCHEMBL943034 0.81 HPSE (1.00) HPSEKDM4EALDH1A1NPC1SMN1; SMN2
SCHEMBL6533676 0.81 HPSE (1.00) HPSEKDM4EALDH1A1NPC1SMN1; SMN2
SCHEMBL6532397 0.80 NPC1 (0.65) HPSEKDM4EALDH1A1NPC1SMN1; SMN2
SCHEMBL16148198 0.80 SMN1; SMN2 (0.61) HPSEHIF1AKDM4EALDH1A1NPC1

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