SCHEMBL13076872

SCHEMBL13076872

CCCCc1ccc(/C(N)=C/S)cc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
THRA P10827 7/20 0.56
THRB P10828 7/20 0.56
RARB P10826 2/20 0.53
PLK1 P53350 1/20 0.53
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
ALDH1A1 P00352 1/20 0.49
HPGD P15428 1/20 0.49
HSD17B10 Q99714 1/20 0.49
PLA2G1B P04054 3/20 0.47
ATG4B Q9Y4P1 3/20 0.47
TRPV1 Q8NER1 1/20 0.46
GRIN2D O15399 1/20 0.46
GRIN3B O60391 1/20 0.46
GRIN1 Q05586 1/20 0.46
GRIN2A Q12879 1/20 0.46
GRIN2B Q13224 1/20 0.46
GRIN2C Q14957 1/20 0.46
GRIN3A Q8TCU5 1/20 0.46

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
SCHEMBL18175226 0.81 SMN1; SMN2 (0.55) PLK1KMT2AALDH1A1HPGD
SCHEMBL607614 0.79 RARB (0.62) THRATHRBRARBPLK1MEN1
SCHEMBL10886969 0.79 RARB (0.62) THRATHRBRARBPLK1MEN1
SCHEMBL3374775 0.77 RARB (0.55) THRATHRBRARBPLK1MEN1
SCHEMBL28017840 0.76 RARB (0.59) THRATHRBRARBPLK1MEN1
SCHEMBL6889098 0.76 SMN1; SMN2 (0.64) THRATHRBRARBPLK1ALDH1A1
SCHEMBL18978069 0.76 THRA (0.56) THRATHRBRARBPLK1MEN1
SCHEMBL8995527 0.76 PRSS1 (0.55) THRATHRBRARBPLK1ALDH1A1
SCHEMBL15750344 0.75 RARB (0.72) THRATHRBRARBPLK1MEN1
SCHEMBL2564366 0.75 RARB (0.67) THRATHRBRARBPLK1MEN1

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-2010125469-A1 PYRIMIDINEDIONE-FUSED HETEROCYCLIC COMPOUNDS AS TRPA1 MODULATORS GLENMARK PHARMACEUTICALS, S.A. (CH) 2010-11-04 WO disclosed