SCHEMBL14640403

SCHEMBL14640403

N#Cc1cccc(Cc2ccc(Cn3sc(Cl)cc3=O)cc2)c1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.42
KAT2B Q92831 3/20 0.41
CCR2 P41597 1/20 0.39
SNCA P37840 2/20 0.39
CLPP Q16740 2/20 0.39
GRIA2 P42262 1/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2A Q12879 1/20 0.39
CYP19A1 P11511 1/20 0.39
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
ADRA1D P25100 1/20 0.38
FEN1 P39748 1/20 0.38
CREBBP Q92793 1/20 0.38
GLA P06280 1/20 0.37
YTHDC1 Q96MU7 1/20 0.37
MRGPRX4 Q96LA9 1/20 0.37

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
SCHEMBL14640401 0.85 FFAR1 (0.49) IDH1L3MBTL1KAT2B
SCHEMBL80967 0.75 KAT2B (0.58) KAT2B
SCHEMBL14640430 0.74 KAT2B (0.41) IDH1L3MBTL1KAT2BHRH3
Hydrochloric Acid SCHEMBL9517520 0.74 KAT2B (0.56) KAT2B
SCHEMBL2153847 0.73 HRH3 (0.59) IDH1CYP19A1CYP11B1CYP11B2HRH3
SCHEMBL678175 0.72 KAT2B (0.58) KAT2BCREBBP
SCHEMBL4196662 0.72 HRH3 (0.54) IDH1CYP19A1CYP11B1CYP11B2HRH3
SCHEMBL14640440 0.72 KAT2B (0.50) KAT2BCREBBP
SCHEMBL5593775 0.71 KAT2B (0.49) KAT2B
SCHEMBL481239 0.70 HRH3 (0.49) IDH1SNCACYP19A1CYP11B1CYP11B2

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-2007001932-A2 SUBSTITUTED ISOTHIAZOLONES AS INHIBITORS OF CYTOSOLIC PHOSPHOLIPASE A2 JANSSEN PHARMACEUTICA N.V. (BE) 2007-01-04 WO disclosed