SCHEMBL8283565

SCHEMBL8283565

CC1(C)CC(=O)c2cc(N)c(=S)[nH]c2C1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 4/20 0.41
TP53 P04637 2/20 0.41
THRB P10828 1/20 0.41
ALDH1A1 P00352 4/20 0.40
HTT P42858 1/20 0.40
TDP1 Q9NUW8 1/20 0.37
CYP2C19 P33261 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
MAPK1 P28482 1/20 0.33
BUB1 O43683 3/20 0.32
BRD4 O60885 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL4422412 0.78 ALDH1A1 (0.49) RXFP1TP53THRBALDH1A1HSD17B10
SCHEMBL370336 0.75 TDP1 (0.46) RXFP1TP53THRBALDH1A1HTT
SCHEMBL17372395 0.73 RXFP1 (0.50) RXFP1TP53THRBALDH1A1HTT
SCHEMBL2468516 0.71 RXFP1 (0.42) RXFP1TP53THRBALDH1A1HTT
SCHEMBL7661207 0.71 RXFP1 (0.42) RXFP1TP53THRBALDH1A1HTT
SCHEMBL4325559 0.68 CYP2C19 (0.45) RXFP1TP53THRBALDH1A1HTT
SCHEMBL7671814 0.68 RXFP1 (0.40) RXFP1TP53THRBALDH1A1HTT
SCHEMBL7670474 0.67 RXFP1 (0.39) RXFP1TP53THRBALDH1A1HTT
SCHEMBL17371875 0.66 CDC7 (0.65) RXFP1MAPK1BUB1
SCHEMBL21637792 0.63 RXFP1 (0.59) RXFP1TP53THRBALDH1A1MEN1

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-2005082856-A2 TETRAHYDROQUINOLINONES AND THEIR USE AS ANTAGONISTS OF METABOTROPIC GLUTAMATE RECEPTORS MERZ PHARMA GMBH & CO. KGAA (DE) 2005-09-09 WO disclosed