SCHEMBL6533676

SCHEMBL6533676

O=C(Nc1ccc(NC(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)cc1)Nc1ccc(-c2nc3ccccc3[nH]2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPSE Q9Y251 8/20 1.00
MMP2 P08253 3/20 0.75
MMP9 P14780 3/20 0.75
MMP8 P22894 3/20 0.75
MMP13 P45452 3/20 0.75
KDM4E B2RXH2 3/20 0.70
NPC1 O15118 2/20 0.67
TP53 P04637 2/20 0.67
MAPT P10636 2/20 0.67
HPGD P15428 2/20 0.67
RAB9A P51151 2/20 0.67
SMN1; SMN2 Q16637 2/20 0.67
HSD17B10 Q99714 1/20 0.67
TDP1 Q9NUW8 1/20 0.67
MEN1 O00255 1/20 0.65
ALDH1A1 P00352 1/20 0.65
POLB P06746 1/20 0.65
KMT2A Q03164 1/20 0.65

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 1.00 HPSE (1.00) HPSEMMP2MMP9MMP8MMP13
SCHEMBL6532513 0.93 HPSE (0.87) HPSEMMP2MMP9MMP8MMP13
SCHEMBL6506352 0.93 HPSE (0.87) HPSEMMP2MMP9MMP8MMP13
SCHEMBL6503052 0.93 HPSE (0.87) HPSEMMP2MMP9MMP8MMP13
SCHEMBL6506260 0.91 MMP2 (0.93) HPSEMMP2MMP9MMP8MMP13
SCHEMBL6529592 0.89 HPSE (1.00) HPSEMMP2MMP9MMP8MMP13
SCHEMBL6530058 0.89 NPC1 (0.83) HPSEMMP2MMP9MMP8MMP13
SCHEMBL6528065 0.89 HPSE (0.79) HPSEMMP2MMP9MMP8MMP13
SCHEMBL2244714 0.88 HPSE (0.79) HPSEMMP2MMP9MMP8MMP13
SCHEMBL7851030 0.88 HPSE (0.79) 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