SCHEMBL22908404

SCHEMBL22908404

COc1cc(-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 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.36
FFAR2 O15552 1/20 0.35
P2RX7 Q99572 1/20 0.35
CFTR P13569 1/20 0.35
MAPK7 Q13164 1/20 0.35
MELK Q14680 1/20 0.35
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
KMT2A Q03164 1/20 0.35
ENPP2 Q13822 1/20 0.34
ATXN2 Q99700 1/20 0.34
ALDH1A1 P00352 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
SUV39H2 Q9H5I1 2/20 0.34
GRM5 P41594 1/20 0.34
LRRK2 Q5S007 1/20 0.34
PIK3CA P42336 1/20 0.34
MTOR P42345 1/20 0.34
CCR6 P51684 1/20 0.33
CYP3A4 P08684 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
SCHEMBL22908434 0.92 IGF1R (0.39) P2RX7MAPK7MEN1KMT2AALDH1A1
SCHEMBL22908412 0.90 P2RX7 (0.36) P2RX7ENPP2ATXN2GRM5PIK3CA
SCHEMBL22908411 0.90 PIK3CA (0.39) CHEK1CFTRMAPK7ENPP2ATXN2
SCHEMBL22908410 0.89 PIK3CA (0.38) CHEK1P2RX7ENPP2ATXN2PIK3CA
SCHEMBL22908403 0.88 GRM5 (0.43) FFAR2CFTRMAPK7MEN1KMT2A
SCHEMBL21361291 0.86 FASN (0.37) ENPP2ATXN2IRAK4
SCHEMBL21361292 0.86 TSHR (0.40) CHEK1MAPK7MEN1KMT2APIK3CA
SCHEMBL22908449 0.84 PIK3CA (0.38) P2RX7ENPP2ATXN2PIK3CAMTOR
SCHEMBL24120412 0.83 FASN (0.36) CHEK1CFTRMAPK7ENPP2ATXN2
SCHEMBL21361307 0.83 CYP1A2 (0.38) MAPK7MEN1KMT2APIK3CAMTOR

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