SCHEMBL1629888

SCHEMBL1629888

[C-]#[N+]c1ccc(C=Cc2ccccc2/C=C/c2ccc([N+]#[C-])cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 10/20 0.45
TRPA1 O75762 2/20 0.43
FGF23 Q9GZV9 1/20 0.43
RELA Q04206 2/20 0.39
CYP1A1 P04798 2/20 0.39
CYP1A2 P05177 2/20 0.39
CYP1B1 Q16678 2/20 0.39
APP P05067 1/20 0.39
CYP19A1 P11511 1/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
CHAT P28329 1/20 0.36
KDM4E B2RXH2 1/20 0.36
APOBEC3A P31941 1/20 0.36
RAB9A P51151 1/20 0.36
APOBEC3G Q9HC16 1/20 0.36

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
SCHEMBL1629989 0.96 NFE2L2 (0.50) NFE2L2TRPA1FGF23RELACYP19A1
SCHEMBL1629886 0.88 NFE2L2 (0.42) NFE2L2TRPA1FGF23RELACYP1A1
SCHEMBL1629916 0.86 MAOB (0.52) NFE2L2TRPA1RELACYP19A1MAOA
SCHEMBL1629883 0.86 MAOB (0.52) NFE2L2TRPA1RELACYP19A1MAOA
SCHEMBL1628770 0.85 NFE2L2 (0.44) NFE2L2TRPA1APPCYP19A1MAOA
SCHEMBL1628449 0.83 CHAT (0.57) CHAT
SCHEMBL1629917 0.82 KDM4E (0.44) NFE2L2TRPA1RELAAPPCYP19A1
SCHEMBL1628768 0.75 NFE2L2 (0.42) NFE2L2TRPA1RELACYP19A1MAOA
SCHEMBL44503 0.75 NFE2L2 (0.68) NFE2L2TRPA1RELACYP19A1MAOA
SCHEMBL9540538 0.75 NFE2L2 (0.68) NFE2L2TRPA1RELACYP19A1MAOA

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-8835084-B2 Electrophotographic photoreceptor, and image forming method, image forming apparatus and process cartridge using same RICOH COMPANY, LTD. (JP) 2014-09-16 US disclosed
US-20120087695-A1 ELECTROPHOTOGRAPHIC PHOTORECEPTOR, AND IMAGE FORMING METHOD, IMAGE FORMING APPARATUS AND PROCESS CARTRIDGE USING SAME RICOH COMPANY, LTD. (JP) 2012-04-12 US disclosed