SCHEMBL18203014

SCHEMBL18203014

C=NC(=O)Nc1cc(-c2cc(C(=O)N3CCCC3)ccc2Cl)ccc1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLA2G7 Q13093 2/20 0.46
▸ HPGD P15428 6/20 0.46
▸ PDK1 Q15118 2/20 0.43
▸ PDK2 Q15119 2/20 0.43
▸ PDK3 Q15120 2/20 0.43
▸ PDK4 Q16654 2/20 0.43
▸ TSHR P16473 1/20 0.43
▸ KDM1A O60341 1/20 0.43
▸ KMT2A Q03164 3/20 0.42
▸ POLB P06746 2/20 0.42
▸ CNR2 P34972 1/20 0.42
▸ ATM Q13315 1/20 0.42
▸ MAPT P10636 3/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ MAPK13 O15264 1/20 0.41
▸ MAPK12 P53778 1/20 0.41
▸ MAPK11 Q15759 1/20 0.41
▸ MAPK14 Q16539 1/20 0.41
▸ MEN1 O00255 2/20 0.40

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
SCHEMBL18202979 0.99 PLA2G7 (0.46) PLA2G7HPGDPDK1PDK2PDK3
SCHEMBL18203030 0.80 S1PR4 (0.46) PDK1PDK2PDK3PDK4TSHR
SCHEMBL18202971 0.72 CLCN2 (0.37) TSHRKMT2APOLBALDH1A1SMN1; SMN2
SCHEMBL15499084 0.72 HPGD (0.75) PLA2G7HPGDTSHRKMT2APOLB
SCHEMBL20838860 0.70 HPGD (0.53) PLA2G7HPGDKMT2AMAPTALDH1A1
SCHEMBL19088577 0.70 HPGD (0.73) PLA2G7HPGDTSHRKMT2APOLB
SCHEMBL20838851 0.70 HPGD (0.52) HPGDKMT2AATMALDH1A1SMN1; SMN2
SCHEMBL18202972 0.69 GRIA1 (0.42) KMT2APOLBATMMAPTMEN1
SCHEMBL14438968 0.69 HPGD (0.71) PLA2G7HPGDTSHRKMT2APOLB
SCHEMBL19088586 0.69 HPGD (0.74) PLA2G7HPGDTSHRKMT2APOLB

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-2016176449-A1 BENZIMIDAZOLONE AND BENZOTHIAZOLONE COMPOUNDS AND THEIR USE AS AMPA RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2016-11-03 — — WO disclosed
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