SCHEMBL8282186

SCHEMBL8282186

CCc1nnc(NC(=O)CN)s1

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KAT8 Q9H7Z6 1/20 0.65
GAA P10253 3/20 0.63
MAPT P10636 1/20 0.63
GLS O94925 1/20 0.60
ATM Q13315 1/20 0.59
POLB P06746 3/20 0.58
ALDH1A1 P00352 3/20 0.58
RAB9A P51151 2/20 0.58
NPC1 O15118 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
KMT2A Q03164 2/20 0.57
MEN1 O00255 1/20 0.57
CA1 P00915 1/20 0.55
CA2 P00918 1/20 0.55
HPGD P15428 1/20 0.55
HSD17B10 Q99714 1/20 0.55

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
SCHEMBL14192408 0.86 KAT8 (0.69) KAT8GAAMAPTGLSATM
SCHEMBL12354953 0.83 KAT8 (0.65) KAT8GAAMAPTGLSATM
SCHEMBL8832776 0.83 KAT8 (0.74) KAT8GAAMAPTGLSPOLB
SCHEMBL27571956 0.82 ATM (0.63) KAT8GAAMAPTGLSATM
SCHEMBL28759581 0.82 ATM (0.67) KAT8GAAMAPTGLSATM
SCHEMBL5629418 0.80 RAB9A (0.68) KAT8GAAMAPTGLSATM
SCHEMBL29353446 0.80 KAT8 (0.61) KAT8GAAMAPTGLSATM
SCHEMBL21443364 0.80 GLS (0.59) GLS
SCHEMBL6374673 0.79 KAT8 (0.60) KAT8GAAMAPTGLSATM
SCHEMBL5629412 0.79 ATM (0.63) KAT8GAAMAPTGLSATM

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-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 disclosed