SCHEMBL6496072

SCHEMBL6496072

CCc1cc(-c2nc(C(=O)O)c(C)s2)ccn1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 2/20 0.57
DBF4 Q9UBU7 2/20 0.57
SREBF2 Q12772 6/20 0.48
SREBF1 P36956 1/20 0.48
PDE10A Q9Y233 1/20 0.44
WNT3A P56704 1/20 0.39
RARB P10826 5/20 0.39
RARA P10276 3/20 0.39
RARG P13631 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
ATM Q13315 1/20 0.38
CDK5 Q00535 1/20 0.38
CDK5R1 Q15078 1/20 0.38

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
SCHEMBL27875453 0.82 CDC7 (0.63) CDC7DBF4SREBF2SREBF1ALDH1A1
SCHEMBL14736837 0.81 CDC7 (0.56) CDC7DBF4SREBF2SREBF1PDE10A
SCHEMBL1436189 0.77 CDC7 (0.52) CDC7DBF4SREBF2SREBF1PDE10A
SCHEMBL27953546 0.76 CDC7 (0.60) CDC7DBF4SREBF2SREBF1WNT3A
SCHEMBL5232911 0.76 SREBF2 (0.56) CDC7DBF4SREBF2SREBF1ALDH1A1
SCHEMBL14736546 0.75 CDC7 (0.49) CDC7DBF4SREBF2SREBF1PDE10A
SCHEMBL3995172 0.74 RARA (0.60) CDC7DBF4RARBRARARARG
SCHEMBL28628291 0.73 CDC7 (0.80) CDC7DBF4ALDH1A1MAPT
SCHEMBL6496395 0.73 PIN1 (0.54) RARBRARARARGALDH1A1MAPT
SCHEMBL14736938 0.73 CDC7 (0.51) CDC7DBF4SREBF2SREBF1PDE10A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6884821-B1 Carboxylic acid derivatives and drugs containing the same EISAI CO., LTD. (JP) 2005-04-26 US disclosed
EP-1216980-A1 CARBOXYLIC ACID DERIVATIVES AND DRUGS CONTAINING THE SAME Eisai Co., Ltd. (JP) 2002-06-26 EP disclosed