SCHEMBL9854767

SCHEMBL9854767

C=CCC(S)c1cc[c]cc1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.33
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CYP2C19 P33261 1/20 0.32
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
ALOX15 P16050 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL1121969 0.78 CYP2C19 (0.52) SMN1; SMN2ATML3MBTL1CYP2C19KDM4E
SCHEMBL10672180 0.77 ATM (0.51) SMN1; SMN2ATML3MBTL1CYP2C19
SCHEMBL7395146 0.75 CYP2C19 (0.36) SMN1; SMN2CYP2C19
SCHEMBL300321 0.75 ESR1 (0.39) SMN1; SMN2ATML3MBTL1CYP2C19KDM4E
SCHEMBL27696734 0.71
SCHEMBL10669611 0.71 ALDH1A1 (0.49) SMN1; SMN2L3MBTL1CYP2C19KDM4EALDH1A1
SCHEMBL28769567 0.68 RIPK1 (0.32)
SCHEMBL9635699 0.66
SCHEMBL1417214 0.66 CCR1 (0.32)
SCHEMBL25307021 0.64 SLC6A4 (0.33)

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-0428973-A1 Mixtures of stabilisers for elastomers CIBA-GEIGY AG (CH) 1991-05-29 EP disclosed