SCHEMBL6263969

SCHEMBL6263969

COc1ccc(C(=O)Nc2cccc(-c3nc4ccccc4[nH]3)c2)cc1Cl

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.79
▸ TP53 P04637 3/20 0.79
▸ COMT P21964 2/20 0.74
▸ KMT2A Q03164 6/20 0.72
▸ MEN1 O00255 5/20 0.72
▸ KDM4E B2RXH2 2/20 0.72
▸ NPC1 O15118 1/20 0.72
▸ POLB P06746 1/20 0.72
▸ THRB P10828 1/20 0.72
▸ RECQL P46063 1/20 0.72
▸ RAB9A P51151 1/20 0.72
▸ ATM Q13315 1/20 0.72
▸ MMP2 P08253 1/20 0.67
▸ MMP9 P14780 1/20 0.67
▸ MMP8 P22894 1/20 0.67
▸ MMP13 P45452 1/20 0.67
▸ FOXO1 Q12778 1/20 0.66
▸ HPSE Q9Y251 5/20 0.65
▸ SMN1; SMN2 Q16637 3/20 0.62
▸ ALDH1A1 P00352 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
SCHEMBL6247649 0.89 HPSE (0.82) MAPTTP53COMTKMT2AMEN1
SCHEMBL17498727 0.86 COMT (0.72) MAPTTP53COMTKMT2AMEN1
SCHEMBL17498783 0.86 COMT (0.72) MAPTTP53COMTKMT2AMEN1
SCHEMBL12351257 0.85 MAPT (0.80) MAPTTP53COMTKMT2AMEN1
SCHEMBL14615299 0.85 MAPT (0.66) MAPTTP53KMT2AMEN1KDM4E
SCHEMBL14615274 0.85 MAPT (0.80) MAPTTP53KMT2AMEN1KDM4E
SCHEMBL25200815 0.84 COMT (0.63) MAPTTP53COMTKMT2AMEN1
SCHEMBL30443231 0.84 COMT (0.63) MAPTTP53COMTKMT2AMEN1
SCHEMBL2582594 0.84 MAPT (1.00) MAPTTP53COMTKMT2AMEN1
SCHEMBL31578829 0.84 MAPT (1.00) MAPTTP53COMTKMT2AMEN1

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
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