SCHEMBL14640404

SCHEMBL14640404

Cc1nc(-c2cccc(NC(=O)/C=C\S)c2)cs1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.61
LMNA P02545 3/20 0.60
ALDH1A1 P00352 4/20 0.57
HTT P42858 5/20 0.56
BRD4 O60885 1/20 0.53
HPGD P15428 1/20 0.52
SMN1; SMN2 Q16637 6/20 0.52
MEN1 O00255 5/20 0.52
KMT2A Q03164 5/20 0.52
NPC1 O15118 5/20 0.52
RAB9A P51151 5/20 0.52
NFKB1 P19838 3/20 0.52
NFKB2 Q00653 3/20 0.52
RELA Q04206 3/20 0.52
MAPK1 P28482 2/20 0.52
KDM4E B2RXH2 1/20 0.52
POLB P06746 1/20 0.52
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C19 P33261 1/20 0.50

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
SCHEMBL1764786 0.82 MAPT (0.70) MAPTLMNAALDH1A1HTTBRD4
SCHEMBL8057745 0.81 MAPT (0.68) MAPTLMNAALDH1A1HTTBRD4
SCHEMBL4455272 0.75 LMNA (0.65) MAPTLMNAALDH1A1HTTBRD4
SCHEMBL10061659 0.74 MAPT (0.64) MAPTLMNAALDH1A1HTTBRD4
SCHEMBL2229720 0.73 MAPT (0.63) MAPTLMNAHTTBRD4SMN1; SMN2
SCHEMBL2739994 0.73 MAPT (0.63) MAPTLMNAALDH1A1HTTBRD4
SCHEMBL1494101 0.72 MAPT (0.56) MAPTLMNAHTTBRD4SMN1; SMN2
SCHEMBL2739995 0.72 MAPT (0.65) MAPTLMNAALDH1A1HTTBRD4
SCHEMBL19626761 0.72 HTT (1.00) MAPTLMNAALDH1A1HTTHPGD
SCHEMBL12519402 0.71 HTT (0.66) MAPTLMNAALDH1A1HTTBRD4

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