SCHEMBL27469820

SCHEMBL27469820

COc1ccccc1C(=O)N(N)Cl

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSD P07339 1/20 0.54
NPC1 O15118 5/20 0.48
RAB9A P51151 3/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
STAT3 P40763 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
HPGD P15428 1/20 0.47
ABCG2 Q9UNQ0 1/20 0.46
HTT P42858 2/20 0.46
PDE2A O00408 1/20 0.46
LMNA P02545 1/20 0.45
KCNK3 O14649 1/20 0.45
KCNK9 Q9NPC2 1/20 0.45
MAPT P10636 1/20 0.44

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
SCHEMBL15129377 0.85 CTSD (0.53) CTSDNPC1RAB9AL3MBTL1STAT3
SCHEMBL28897069 0.84 CTSD (0.51) CTSDNPC1RAB9AL3MBTL1STAT3
SCHEMBL25211437 0.84 CTSD (0.56) CTSDNPC1RAB9AL3MBTL1STAT3
SCHEMBL2486631 0.82 CTSD (0.54) CTSDNPC1RAB9AL3MBTL1STAT3
SCHEMBL27914867 0.82 CTSD (0.54) CTSDNPC1RAB9AL3MBTL1STAT3
SCHEMBL2541558 0.79 CTSD (0.55) CTSDNPC1RAB9AL3MBTL1STAT3
SCHEMBL27478744 0.78 RAB9A (0.54) CTSDNPC1RAB9AL3MBTL1STAT3
SCHEMBL24634050 0.78 HTT (0.53) CTSDNPC1RAB9AL3MBTL1STAT3
SCHEMBL27508679 0.76 HTT (0.66) CTSDNPC1RAB9AL3MBTL1STAT3
SCHEMBL307126 0.76 CTSD (0.51) CTSDNPC1RAB9AL3MBTL1STAT3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1148357-C Triazole and imidazole derivative - 2004-05-05 CN disclosed
CN-1281852-A Triazole and imidazole derivative HOFFMANN LA ROCHE (CH) 2001-01-31 CN disclosed
CN-87105457-A BENZOHYDROXAMIC ACID DERIVATIVES 1988-02-17 CN disclosed