SCHEMBL7670474

SCHEMBL7670474

CC1(C)CC(=O)c2cc(SC#N)[nH]c2C1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 4/20 0.39
TP53 P04637 2/20 0.39
THRB P10828 1/20 0.39
POLB P06746 1/20 0.39
ALDH1A1 P00352 2/20 0.38
HTT P42858 1/20 0.38
TDP1 Q9NUW8 1/20 0.36
PTGS2 P35354 1/20 0.34
HSD17B10 Q99714 1/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL7661207 0.81 RXFP1 (0.42) RXFP1TP53THRBPOLBALDH1A1
SCHEMBL7671814 0.78 RXFP1 (0.40) RXFP1TP53THRBPOLBALDH1A1
SCHEMBL370336 0.73 TDP1 (0.46) RXFP1TP53THRBALDH1A1HTT
SCHEMBL4422412 0.72 ALDH1A1 (0.49) RXFP1TP53THRBPOLBALDH1A1
SCHEMBL7665836 0.71 RXFP1 (0.45) RXFP1TP53THRBKDM4E
SCHEMBL17372395 0.71 RXFP1 (0.50) RXFP1TP53THRBALDH1A1HTT
SCHEMBL2468516 0.69 RXFP1 (0.42) RXFP1TP53THRBALDH1A1HTT
SCHEMBL8283565 0.67 RXFP1 (0.41) RXFP1TP53THRBALDH1A1HTT
SCHEMBL17371920 0.66 BUB1 (0.43) RXFP1POLBALDH1A1KDM4E
SCHEMBL4325559 0.66 CYP2C19 (0.45) RXFP1TP53THRBALDH1A1HTT

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
US-6395766-B1 COGNITION ACTIVATORS MERCK SHARP & DOHME LIMITED (GB) 2002-05-28 US disclosed