SCHEMBL11299646

SCHEMBL11299646

CCCCCCCCCCCCCCCCSc1nc2ccccc2s1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.71
CYP2D6 P10635 3/20 0.71
SMN1; SMN2 Q16637 5/20 0.66
ALDH1A1 P00352 4/20 0.66
KDM4E B2RXH2 2/20 0.66
GFER P55789 1/20 0.66
CYP2C19 P33261 3/20 0.63
CYP3A4 P08684 2/20 0.63
CYP2C9 P11712 1/20 0.63
STAT6 P42226 1/20 0.63
HTR1A P08908 1/20 0.62
HTR2A P28223 1/20 0.62
HTR7 P34969 1/20 0.62
HSD17B10 Q99714 2/20 0.62
MAPK1 P28482 2/20 0.61
L3MBTL1 Q9Y468 2/20 0.61
HIF1A Q16665 1/20 0.61
HPGD P15428 2/20 0.60
MEN1 O00255 1/20 0.60
KMT2A Q03164 1/20 0.60

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
SCHEMBL30423175 1.00 CYP1A2 (0.71) CYP1A2CYP2D6SMN1; SMN2ALDH1A1KDM4E
SCHEMBL2208304 1.00 CYP1A2 (0.71) CYP1A2CYP2D6SMN1; SMN2ALDH1A1KDM4E
SCHEMBL12371907 1.00 CYP1A2 (0.71) CYP1A2CYP2D6SMN1; SMN2ALDH1A1KDM4E
SCHEMBL11339285 1.00 CYP1A2 (0.71) CYP1A2CYP2D6SMN1; SMN2ALDH1A1KDM4E
SCHEMBL11590344 1.00 CYP1A2 (0.71) CYP1A2CYP2D6SMN1; SMN2ALDH1A1KDM4E
SCHEMBL19614388 1.00 CYP1A2 (0.71) CYP1A2CYP2D6SMN1; SMN2ALDH1A1KDM4E
SCHEMBL15501213 1.00 CYP1A2 (0.71) CYP1A2CYP2D6SMN1; SMN2ALDH1A1KDM4E
SCHEMBL422527 0.94 CYP1A2 (0.75) CYP1A2CYP2D6SMN1; SMN2ALDH1A1KDM4E
SCHEMBL30422981 0.94 CYP1A2 (0.75) CYP1A2CYP2D6SMN1; SMN2ALDH1A1KDM4E
SCHEMBL6141647 0.92 CYP1A2 (0.83) CYP1A2CYP2D6SMN1; SMN2ALDH1A1KDM4E

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4225682-A PEPTIZED DENKA CHEMICAL CORPORATION (US) 1980-09-30 US claimed
US-4250083-A A STYRENATED DIPHENYLAMINE PRESENT DURING EMULSION POLYMERIZATION FOLLOWED BY PEPTIZATION; STORAGE STABILITY DENKA CHEMICAL CORPORATION (US) 1981-02-10 US disclosed
US-4225682-A PEPTIZED DENKA CHEMICAL CORPORATION (US) 1980-09-30 US disclosed