SCHEMBL6280418

SCHEMBL6280418

O=C(Nc1ccc(Cc2nc3ccccc3[nH]2)cc1)c1ccc(-c2nc3ccccc3[nH]2)cc1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPSE Q9Y251 4/20 0.78
MMP2 P08253 4/20 0.73
MMP13 P45452 4/20 0.73
MMP9 P14780 3/20 0.73
MMP8 P22894 3/20 0.73
RAB9A P51151 4/20 0.66
NPC1 O15118 3/20 0.66
MEN1 O00255 3/20 0.66
KMT2A Q03164 3/20 0.66
SMN1; SMN2 Q16637 2/20 0.65
PKM P14618 1/20 0.65
KDM4E B2RXH2 5/20 0.62
HPGD P15428 2/20 0.62
ALDH1A1 P00352 1/20 0.62
MAPT P10636 3/20 0.60
POLB P06746 2/20 0.60
THRB P10828 1/20 0.60
RECQL P46063 1/20 0.60
ATM Q13315 1/20 0.60
TP53 P04637 1/20 0.60

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
SCHEMBL6514534 0.90 HPSE (0.77) HPSEMMP2MMP13MMP9MMP8
SCHEMBL6262306 0.89 PKM (0.73) HPSEMMP2MMP13MMP9MMP8
SCHEMBL8820125 0.89 HPSE (1.00) HPSEMMP2MMP13MMP9MMP8
SCHEMBL6281518 0.89 HPSE (1.00) HPSEMMP2MMP13MMP9MMP8
SCHEMBL2242293 0.85 MMP2 (1.00) HPSEMMP2MMP13MMP9MMP8
SCHEMBL6511104 0.83 HPSE (0.72) HPSEMMP2MMP13MMP9MMP8
SCHEMBL6506903 0.83 HPSE (0.72) HPSEMMP2MMP13MMP9MMP8
SCHEMBL6532372 0.83 HPSE (0.84) HPSEMMP2MMP13MMP9MMP8
SCHEMBL6259448 0.83 HPSE (0.88) HPSEMMP2MMP13MMP9MMP8
SCHEMBL3917809 0.83 HPSE (0.88) HPSEMMP2MMP13MMP9MMP8

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-2005030206-A1 ARYL-1,3-AZOLE DERIVATIVES AND METHODS FOR INHIBITING HEPARNASE ACTIVITY IMCLONE SYSTEMS INCORPORATED (US) 2005-04-07 WO disclosed