SCHEMBL20169330

SCHEMBL20169330

C/C=C\C(=C/C)SCc1ccc(N)cc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 2/20 0.41
IDO1 P14902 12/20 0.39
ALDH1A1 P00352 2/20 0.37
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
GFER P55789 1/20 0.37
CYP3A4 P08684 1/20 0.37
TSHR P16473 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
LOXL2 Q9Y4K0 1/20 0.35
NOS3 P29474 1/20 0.34
NOS2 P35228 1/20 0.34
ITGB1 P05556 1/20 0.33
ITGA5 P08648 1/20 0.33

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
SCHEMBL19593067 0.82 CYP19A1 (0.42) NOS1IDO1ALDH1A1CYP3A4TDP1
SCHEMBL23630237 0.71 NOS1 (0.40) NOS1IDO1CYP3A4TDP1NOS3
SCHEMBL9841062 0.69 ALDH1A1 (0.48) ALDH1A1MEN1NPC1RAB9AKMT2A
SCHEMBL9841063 0.69 ALDH1A1 (0.48) ALDH1A1MEN1NPC1RAB9AKMT2A
SCHEMBL11957418 0.68 NOS1 (0.46) NOS1IDO1ALDH1A1MEN1NPC1
SCHEMBL514209 0.66 ALDH1A1 (0.50) NOS1IDO1ALDH1A1MEN1NPC1
SCHEMBL14081380 0.66 ALDH1A1 (0.50) NOS1IDO1ALDH1A1MEN1NPC1
SCHEMBL27497267 0.66 ALDH1A1 (0.50) ALDH1A1MEN1NPC1RAB9AKMT2A
SCHEMBL26552953 0.66 NOS1 (0.54) NOS1IDO1ALDH1A1MEN1NPC1
SCHEMBL14629382 0.66 NOS1 (0.39) NOS1IDO1ALDH1A1MEN1NPC1

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
US-9976085-B2 Liquid crystal alignment agent, liquid crystal alignment film, and liquid crystal display element CHI MEI CORPORATION (TW) 2018-05-22 US disclosed