SCHEMBL9733606

SCHEMBL9733606

CCOC(=O)Cc1ccccc1C(CN)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.44
CYP4F2 P78329 2/20 0.41
CYP4A11 Q02928 2/20 0.41
F2 P00734 1/20 0.41
HTR2A P28223 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
MMP8 P22894 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
F10 P00742 1/20 0.39
LMNA P02545 1/20 0.39
NLRP3 Q96P20 1/20 0.39

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
SCHEMBL9733178 0.82 PKM (0.45) PKMCYP4F2CYP4A11F2MMP8
SCHEMBL9731499 0.78 PKM (0.42) PKMCYP4F2CYP4A11F2MMP8
SCHEMBL19960628 0.77 PKM (0.48) PKMCYP4F2CYP4A11SMN1; SMN2NLRP3
SCHEMBL68340 0.77 PKM (0.60) PKMCYP4F2CYP4A11SMN1; SMN2LMNA
SCHEMBL19953657 0.75 PKM (0.47) PKMCYP4F2CYP4A11SMN1; SMN2NLRP3
SCHEMBL28670364 0.74 PKM (0.54) PKMCYP4F2CYP4A11SMN1; SMN2LMNA
SCHEMBL6878047 0.73 PKM (0.57) PKMCYP4F2CYP4A11SMN1; SMN2LMNA
SCHEMBL31424953 0.73 PKM (0.57) PKMCYP4F2CYP4A11SMN1; SMN2LMNA
SCHEMBL31424955 0.73 PKM (0.57) PKMCYP4F2CYP4A11SMN1; SMN2LMNA
SCHEMBL3395166 0.72 AKR1B1 (0.50) LMNA

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-5106844-A Imidazo[2,2-b][3]benzazepine and pyrimido[2,1-b][3]benzazepine antiarrhythmic agents STERLING DRUG INC. (US) 1992-04-21 US disclosed