SCHEMBL22908412

SCHEMBL22908412

Cc1cc(-c2ccc(C#N)cn2)cc(Cl)c1C1C(=O)CC2(CCN(C(=O)C3CC3)CC2)CC1=O

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.36
FASN P49327 10/20 0.35
PIK3CD O00329 1/20 0.35
KDM1A O60341 1/20 0.34
IRAK4 Q9NWZ3 1/20 0.34
CNR2 P34972 1/20 0.33
ENPP2 Q13822 1/20 0.33
ATXN2 Q99700 1/20 0.33
GRM5 P41594 1/20 0.33
ALK Q9UM73 1/20 0.33
ACACA Q13085 1/20 0.33
PIK3CA P42336 1/20 0.33
MTOR P42345 1/20 0.33

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
SCHEMBL21361291 0.94 FASN (0.37) FASNPIK3CDKDM1AIRAK4ENPP2
SCHEMBL22908414 0.92 CYP1A2 (0.41) P2RX7FASNIRAK4CNR2GRM5
SCHEMBL22908404 0.90 CHEK1 (0.36) P2RX7IRAK4ENPP2ATXN2GRM5
SCHEMBL22908410 0.90 PIK3CA (0.38) P2RX7CNR2ENPP2ATXN2ALK
SCHEMBL22908420 0.89 PIK3CA (0.37) FASNPIK3CDKDM1AIRAK4CNR2
SCHEMBL22908415 0.87 ALDH1A1 (0.36) P2RX7PIK3CD
SCHEMBL22908449 0.86 PIK3CA (0.38) P2RX7PIK3CDKDM1AIRAK4CNR2
SCHEMBL24120146 0.85 FASN (0.38) FASNKDM1AIRAK4ENPP2ATXN2
SCHEMBL21361283 0.85 CYP1A2 (0.41) FASNIRAK4ACACAPIK3CAMTOR
SCHEMBL24324810 0.84 ACACA (0.35) P2RX7FASNCNR2GRM5ACACA

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
WO-2021009048-A1 HERBICIDAL CYCLOHEXANEDIONE DERIVATIVES SYNGENTA CROP PROTECTION AG (CH) 2021-01-21 WO disclosed