SCHEMBL13675832

SCHEMBL13675832

Cc1ccc(/C=C/c2ccc3[nH]c4ccc(/C=C/c5ccc(C)cc5)cc4c3c2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 5/20 0.50
MEN1 O00255 3/20 0.46
NPC1 O15118 3/20 0.46
KMT2A Q03164 3/20 0.46
RAB9A P51151 2/20 0.46
USP2 O75604 1/20 0.46
GPR35 Q9HC97 1/20 0.46
GPR55 Q9Y2T6 1/20 0.46
KIF11 P52732 5/20 0.46
PTGS1 P23219 2/20 0.46
PTGS2 P35354 2/20 0.46
ALOX5 P09917 1/20 0.46
ACHE P22303 2/20 0.44
MAPT P10636 2/20 0.44
POLB P06746 2/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
GLA P06280 1/20 0.44
GAA P10253 1/20 0.44
SMN1; SMN2 Q16637 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
SCHEMBL11250285 0.82 KIF11 (0.56) NFE2L2MEN1NPC1KMT2ARAB9A
SCHEMBL11250289 0.82 KIF11 (0.56) NFE2L2MEN1NPC1KMT2ARAB9A
SCHEMBL6487272 0.79 RAB9A (0.57) MEN1NPC1KMT2ARAB9AUSP2
SCHEMBL6487275 0.79 RAB9A (0.57) MEN1NPC1KMT2ARAB9AUSP2
SCHEMBL3270902 0.78 IP6K1 (0.50) MEN1NPC1KMT2ARAB9AKIF11
SCHEMBL3270896 0.78 IP6K1 (0.50) MEN1NPC1KMT2ARAB9AKIF11
Iodide SCHEMBL3271943 0.78 RAB9A (0.60) MEN1NPC1KMT2ARAB9AUSP2
Iodide SCHEMBL3271941 0.78 RAB9A (0.60) MEN1NPC1KMT2ARAB9AUSP2
SCHEMBL20006729 0.77 KIF11 (0.66) MEN1NPC1KMT2ARAB9AKIF11
SCHEMBL28217117 0.77 KIF11 (0.66) MEN1NPC1KMT2ARAB9AKIF11

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-2109162-A1 ORGANIC SEMICONDUCTOR COMPOSITE, ORGANIC TRANSISTOR MATERIAL AND ORGANIC FIELD EFFECT TRANSISTOR Toray Industries, Inc. (JP) 2009-10-14 EP disclosed