SCHEMBL19983934

SCHEMBL19983934

COc1cc(OC(F)(F)F)ccc1Nc1ccc2c(C(=O)N(C)C)c[nH]c2c1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TUBB1 Q9H4B7 2/20 0.41
CDK2 P24941 1/20 0.39
IDO1 P14902 1/20 0.39
TDO2 P48775 1/20 0.39
STING1 Q86WV6 1/20 0.38
MAPT P10636 2/20 0.38
ALDH1A1 P00352 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CYP2C8 P10632 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
TRPV1 Q8NER1 2/20 0.38
NR4A2 P43354 3/20 0.38
SCN8A Q9UQD0 1/20 0.37
SCN10A Q9Y5Y9 1/20 0.37
MCHR1 Q99705 1/20 0.37
TTK P33981 2/20 0.36
ROCK2 O75116 1/20 0.36
ROCK1 Q13464 1/20 0.36

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
SCHEMBL19983947 0.81 TUBB1 (0.48) TUBB1MAPTALDH1A1L3MBTL1NR4A2
SCHEMBL19984222 0.78 CDK2 (0.41) CDK2IDO1TDO2TRPV1
SCHEMBL19983834 0.74 PRKAG1 (0.42) TUBB1MAPTNR4A2ROCK2ROCK1
SCHEMBL19984304 0.74 NR4A2 (0.38) TUBB1IDO1TDO2STING1NR4A2
SCHEMBL19984228 0.72 NR4A2 (0.46) NR4A2
SCHEMBL16618640 0.71 LMNA (0.41) CYP2C9CYP2C19
SCHEMBL19983975 0.70 ALK (0.40) NR4A2
SCHEMBL19984134 0.70 HTR2A (0.41) CDK2MAPTTRPV1
SCHEMBL17417643 0.69 ALDH1A1 (0.52) TUBB1CDK2MAPTALDH1A1ROCK2
SCHEMBL31375074 0.69 ALDH1A1 (0.52) TUBB1CDK2MAPTALDH1A1ROCK2

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
EP-3052484-B1 SULFONYLINDOLE DERIVATIVES AND METHOD FOR PREPARING THE SAME DAE WOONG PHARMA (KR) 2018-03-21 EP disclosed