SCHEMBL28499201

SCHEMBL28499201

C=C(C)C(=O)N(C)c1ccc(C(F)(F)F)cc1I

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.35
POLQ O75417 3/20 0.35
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
USP2 O75604 1/20 0.35
HPGD P15428 1/20 0.35
CYP2C19 P33261 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TP53 P04637 1/20 0.35
CES2 O00748 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
DYRK1A Q13627 1/20 0.34
MTOR P42345 1/20 0.34
NOTUM Q6P988 1/20 0.33
PDK2 Q15119 1/20 0.33
TACR1 P25103 2/20 0.33
CFTR P13569 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
SCHEMBL28492096 0.81 HTT (0.33) CES2
SCHEMBL31224076 0.80 AR (0.40) POLQCYP2C19SMN1; SMN2NOTUM
SCHEMBL28498687 0.79 FSCN1 (0.33) ALDH1A1SMN1; SMN2
SCHEMBL28501470 0.78 ALDH1A1 (0.34) ALDH1A1
SCHEMBL28490898 0.78 FSCN1 (0.49) GAAALDH1A1KDM4EHSD17B10
SCHEMBL31223987 0.77 AR (0.43) CYP2C19NOTUM
SCHEMBL28497420 0.75 MAPT (0.41) ALDH1A1KDM4EHPGDCYP2C19HSD17B10
SCHEMBL28250894 0.75 SMN1; SMN2 (0.50) POLQCES2SMN1; SMN2
SCHEMBL28499158 0.73 GAA (0.36) GAAALDH1A1KDM4EHPGDTP53
SCHEMBL29131831 0.73 CA1 (0.41) GAAALDH1A1KDM4EHPGDHSD17B10

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
CN-110483364-B Indolone sulfone compound and synthesis method thereof 台州学院 2020-12-25 CN claimed
CN-110483364-B Indolone sulfone compound and synthesis method thereof 台州学院 2020-12-25 CN disclosed