SCHEMBL9733178

SCHEMBL9733178

CCOC(=O)Cc1ccccc1C(Cl)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.45
CYP4F2 P78329 2/20 0.42
CYP4A11 Q02928 2/20 0.42
NLRP3 Q96P20 3/20 0.42
MMP8 P22894 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
F2 P00734 1/20 0.39
LMNA P02545 1/20 0.39
KMT2A Q03164 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 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
SCHEMBL9733606 0.82 PKM (0.44) PKMCYP4F2CYP4A11NLRP3MMP8
SCHEMBL12258106 0.81 MAPT (0.47) SMN1; SMN2LMNAKMT2ACYP3A4CYP2D6
SCHEMBL9731499 0.80 PKM (0.42) PKMCYP4F2CYP4A11NLRP3MMP8
SCHEMBL28670364 0.78 PKM (0.54) PKMCYP4F2CYP4A11SMN1; SMN2LMNA
SCHEMBL23781411 0.78 HTT (0.44) LMNANPSR1CYP3A4CYP2D6
SCHEMBL19960628 0.78 PKM (0.48) PKMCYP4F2CYP4A11NLRP3SMN1; SMN2
SCHEMBL68340 0.78 PKM (0.60) PKMCYP4F2CYP4A11NLRP3SMN1; SMN2
SCHEMBL19953657 0.77 PKM (0.47) PKMCYP4F2CYP4A11NLRP3SMN1; SMN2
SCHEMBL6878047 0.74 PKM (0.57) PKMCYP4F2CYP4A11NLRP3SMN1; SMN2
SCHEMBL31424953 0.74 PKM (0.57) PKMCYP4F2CYP4A11NLRP3SMN1; SMN2

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