SCHEMBL15097491

SCHEMBL15097491

COSc1ccc(C(C)(C)C)c(C#N)c1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAOB P27338 8/20 0.40
AR P10275 11/20 0.40
KDM4E B2RXH2 1/20 0.36
CYP1A2 P05177 1/20 0.36
GLA P06280 1/20 0.36
CYP3A4 P08684 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
MAOA P21397 6/20 0.35

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
SCHEMBL15097118 0.77 MAOB (0.33) MAOBARKDM4ECYP1A2GLA
SCHEMBL15097489 0.74 KIF11 (0.33)
SCHEMBL19154837 0.74 AR (0.47) MAOBARKDM4EGLAGAA
SCHEMBL15097482 0.74 FABP4 (0.33)
SCHEMBL15097612 0.73 AR (0.43) MAOBARKDM4ECYP1A2GLA
SCHEMBL15097477 0.72 AR (0.38) ARMAPT
SCHEMBL13945796 0.71 KIF11 (0.44) ARKDM4EGAAMAPT
SCHEMBL11724576 0.71 KIF11 (0.44) ARCYP1A2CYP2C19
SCHEMBL12180588 0.71 AR (0.43) AR
SCHEMBL15716296 0.70 MAOB (0.37) MAOBARKDM4EMAPTMAOA

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
US-20130177851-A1 PHOTORESIST COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-07-11 US disclosed