SCHEMBL6529592

SCHEMBL6529592

O=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)Nc1ccc(-c2nc3ncccc3[nH]2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HPSE Q9Y251 8/20 1.00
PRMT5 O14744 1/20 0.69
MMP2 P08253 1/20 0.61
MMP9 P14780 1/20 0.61
MMP8 P22894 1/20 0.61
MMP13 P45452 1/20 0.61

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 0.89 HPSE (1.00) HPSEMMP2MMP9MMP8MMP13
SCHEMBL6533676 0.89 HPSE (1.00) HPSEMMP2MMP9MMP8MMP13
SCHEMBL6503052 0.83 HPSE (0.87) HPSEMMP2MMP9MMP8MMP13
SCHEMBL6506352 0.83 HPSE (0.87) HPSEMMP2MMP9MMP8MMP13
SCHEMBL6258154 0.83 HPSE (0.81) HPSEPRMT5
SCHEMBL6532513 0.83 HPSE (0.87) HPSEMMP2MMP9MMP8MMP13
SCHEMBL6244081 0.82 PRMT5 (1.00) HPSEPRMT5MMP2MMP9MMP8
SCHEMBL6528618 0.81 HPSE (0.77) HPSEPRMT5
SCHEMBL6506260 0.81 MMP2 (0.93) HPSEPRMT5MMP2MMP9MMP8
SCHEMBL27202475 0.81 HPSE (0.73) HPSEPRMT5MMP2MMP9MMP8

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