SCHEMBL14640430

SCHEMBL14640430

O=CC#Cc1cccc(Cn2sc(Cl)cc2=O)c1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KAT2B Q92831 9/20 0.41
L3MBTL1 Q9Y468 1/20 0.34
MAPT P10636 2/20 0.33
ALDH1A1 P00352 1/20 0.33
G6PD P11413 1/20 0.33
PKM P14618 1/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33
HTT P42858 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
HRH3 Q9Y5N1 2/20 0.32
GSK3B P49841 2/20 0.32
GSK3A P49840 1/20 0.32
CASP3 P42574 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
GRM5 P41594 1/20 0.31
IDH1 O75874 1/20 0.30

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
SCHEMBL14640434 0.77 KAT2B (0.46) KAT2BMAPTALDH1A1G6PDPKM
SCHEMBL5593772 0.76 KAT2B (0.42) KAT2B
SCHEMBL80967 0.75 KAT2B (0.58) KAT2BMAPTALDH1A1G6PDPKM
SCHEMBL14640401 0.74 FFAR1 (0.49) KAT2BL3MBTL1GRM5IDH1
SCHEMBL14640403 0.74 IDH1 (0.45) KAT2BL3MBTL1HRH3IDH1
SCHEMBL14640594 0.74 FFAR1 (0.49) KAT2BL3MBTL1MEN1KMT2AGRM5
Hydrochloric Acid SCHEMBL9517520 0.74 KAT2B (0.56) KAT2BMAPTALDH1A1G6PDPKM
SCHEMBL5593775 0.74 KAT2B (0.49) KAT2BMAPTALDH1A1G6PDPKM
SCHEMBL21119439 0.73 FOLH1 (0.41) HRH3
SCHEMBL14640440 0.72 KAT2B (0.50) KAT2BMAPTALDH1A1G6PDPKM

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