SCHEMBL10781024

SCHEMBL10781024

CNS(=O)(=O)c1ccc(Cl)c(-c2ccccc2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 1/20 0.53
L3MBTL1 Q9Y468 2/20 0.51
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA3 P07451 1/20 0.49
CA4 P22748 1/20 0.49
CA6 P23280 1/20 0.49
CA5A P35218 1/20 0.49
CA7 P43166 1/20 0.49
CA9 Q16790 1/20 0.49
CA13 Q8N1Q1 1/20 0.49
CA14 Q9ULX7 1/20 0.49
CA5B Q9Y2D0 1/20 0.49
PTGES2 Q9H7Z7 2/20 0.47
IKBKB O14920 1/20 0.47
CHUK O15111 1/20 0.47
NR3C2 P08235 1/20 0.45
ALDH1A1 P00352 1/20 0.44
MCOLN3 Q8TDD5 1/20 0.44

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
SCHEMBL10781385 0.85 ACLY (0.44) VCAM1L3MBTL1PTGES2ALDH1A1MCOLN3
SCHEMBL5527322 0.81 CYP2A6 (0.48) CA12CA1CA2CA9ALDH1A1
SCHEMBL28022358 0.80 CA12 (0.56) VCAM1L3MBTL1CA12CA1CA2
SCHEMBL28022385 0.79 KAT6A (0.53) VCAM1L3MBTL1CA12CA1CA2
SCHEMBL644292 0.77 VCAM1 (0.64) VCAM1L3MBTL1CA12CA1CA2
SCHEMBL4941587 0.75 IKBKB (0.54) L3MBTL1IKBKBCHUKNR3C2ALDH1A1
SCHEMBL3906959 0.75 NR3C2 (0.61) L3MBTL1CA12CA1CA2CA3
SCHEMBL27276733 0.74 VCAM1 (0.60) VCAM1L3MBTL1CA12CA1CA2
SCHEMBL10154333 0.74 L3MBTL1 (0.55) L3MBTL1PTGES2NR3C2TNNI3KCYP3A4
SCHEMBL25680122 0.74 VCAM1 (0.46) VCAM1L3MBTL1CA12CA1CA2

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
EP-0104353-B1 HEAT SENSITIVE RECORD MATERIAL HODOGAYA CHEMICAL CO., LTD. (JP) 1987-10-28 EP claimed