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SCHEMBL6529296

SCHEMBL6529296

COc1ccc(NC(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)cc1Br

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ HPSE Q9Y251 17/20 1.00
▸ KDM4E B2RXH2 1/20 0.58
▸ ALDH1A1 P00352 1/20 0.58
▸ KMT2A Q03164 1/20 0.57
▸ MMP2 P08253 1/20 0.56
▸ MMP9 P14780 1/20 0.56
▸ MMP8 P22894 1/20 0.56
▸ MMP13 P45452 1/20 0.56

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
SCHEMBL6507068 0.91 HPSE (0.94) HPSEMMP2MMP9MMP8MMP13
SCHEMBL6505130 0.89 HPSE (0.80) HPSE
SCHEMBL6244183 0.88 HPSE (1.00) HPSEMMP2MMP9MMP8MMP13
SCHEMBL25674602 0.84 HPSE (0.78) HPSEKDM4EALDH1A1KMT2AMMP2
SCHEMBL6527816 0.83 HPSE (1.00) HPSEKDM4EALDH1A1KMT2AMMP2
SCHEMBL943034 0.83 HPSE (1.00) HPSEKDM4EALDH1A1KMT2AMMP2
SCHEMBL6533676 0.83 HPSE (1.00) HPSEKDM4EALDH1A1KMT2AMMP2
SCHEMBL6503052 0.82 HPSE (0.87) HPSEKDM4EMMP2MMP9MMP8
SCHEMBL6529336 0.82 HPSE (0.73) HPSEKDM4EALDH1A1MMP2MMP9
SCHEMBL6503250 0.81 HPSE (1.00) 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