SCHEMBL6374672

SCHEMBL6374672

CCc1nnc(CC(N)=O)s1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.62
ATM Q13315 1/20 0.46
HSD17B10 Q99714 2/20 0.42
HTT P42858 2/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA4 P22748 1/20 0.42
CA5A P35218 1/20 0.42
CA5B Q9Y2D0 1/20 0.42
ALDH1A1 P00352 4/20 0.41
GAA P10253 3/20 0.41
RAB9A P51151 3/20 0.41
NPC1 O15118 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
GLS O94925 1/20 0.41
KAT8 Q9H7Z6 1/20 0.40
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL2705929 0.81 GLS (0.45) F2ATMHSD17B10HTTCA1
SCHEMBL15149636 0.77 F2 (0.64) F2HSD17B10HTTCA2ALDH1A1
SCHEMBL2644436 0.75 ATM (0.42) F2ATMHSD17B10HTTCA1
SCHEMBL10769560 0.75 F2 (0.62) F2HSD17B10HTTALDH1A1RAB9A
SCHEMBL10769562 0.75 F2 (0.62) F2HSD17B10HTTALDH1A1RAB9A
SCHEMBL24073934 0.75
SCHEMBL9332415 0.75 F2 (0.56) F2HSD17B10HTTCA1CA2
SCHEMBL2705919 0.75 SMN1; SMN2 (0.60) HSD17B10HTTCA1CA2ALDH1A1
SCHEMBL3501333 0.71 F2 (0.56) F2CA1CA2CA4CA5A
SCHEMBL27571956 0.71 ATM (0.63) ATMHSD17B10HTTCA1CA2

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
EP-2627631-B1 PYRROLIDINONES AS METAP2 INHIBITORS MERCK PATENT GMBH (DE) 2015-12-16 EP claimed
WO-2005072731-A1 3-PHENYL-N- ((1, 3, 4) THIADIAZOL-2-YL) -ACRYLAMIDE DERIVATIVES AND RELATED COMPOUNDS AS MODULATORS OF ESTROGEN-RELATED RECEPTORS FOR THE TREATMENT OF E.G. CANCER, RHEUMATOID ARTHRITIS OR NEUROLOGICAL DISORDERS X-CEPTOR THERAPEUTICS, INC. (US) 2005-08-11 WO claimed