SCHEMBL103595

SCHEMBL103595

C=C(C)c1ccc(/N=N/c2ccc(C(=C)C)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.56
MAPT P10636 7/20 0.56
RAB9A P51151 7/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
MAPK1 P28482 2/20 0.56
TDP1 Q9NUW8 2/20 0.56
STAT3 P40763 1/20 0.56
STAT1 P42224 1/20 0.56
KDM4E B2RXH2 1/20 0.45
TRPA1 O75762 1/20 0.43
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
CASP3 P42574 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
POLB P06746 1/20 0.41
CYP1A1 P04798 1/20 0.39
CYP1B1 Q16678 1/20 0.39

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
SCHEMBL102795 0.93 MAPT (0.50) NPC1MAPTRAB9ASMN1; SMN2MAPK1
SCHEMBL19749969 0.91 TRPA1 (0.57) NPC1MAPTRAB9ASMN1; SMN2MAPK1
SCHEMBL25645179 0.85 NPC1 (0.68) NPC1MAPTRAB9ASMN1; SMN2MAPK1
SCHEMBL56361 0.83 MAPT (0.40) NPC1MAPTRAB9ASMN1; SMN2MAPK1
SCHEMBL13175385 0.80 NOS1 (0.38) NPC1MAPTRAB9ASMN1; SMN2MAPK1
SCHEMBL12826491 0.80 ALDH1A1 (0.43) NPC1MAPTRAB9ASMN1; SMN2MAPK1
SCHEMBL28660752 0.80 MAPT (0.38) NPC1MAPTRAB9ASMN1; SMN2MAPK1
SCHEMBL7596929 0.80 MAPT (0.38) NPC1MAPTRAB9ASMN1; SMN2MAPK1
SCHEMBL270428 0.77 MAPT (0.57) NPC1MAPTRAB9ASMN1; SMN2MAPK1
SCHEMBL270427 0.77 MAPT (0.57) NPC1MAPTRAB9ASMN1; SMN2MAPK1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8992796-B2 Polymerizable liquid crystal composition DIC CORPORATION (JP) 2015-03-31 US disclosed
US-20120056129-A1 POLYMERIZABLE LIQUID CRYSTAL COMPOSITION DIC CORPORATION (JP) 2012-03-08 US disclosed