SCHEMBL6953181

SCHEMBL6953181

CC(=O)C(N=Nc1ccccc1)C([NH])=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.56
MAPT P10636 8/20 0.42
NPC1 O15118 5/20 0.42
RAB9A P51151 4/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
TRPA1 O75762 1/20 0.40
L3MBTL1 Q9Y468 3/20 0.39
CASP3 P42574 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
ALDH1A1 P00352 4/20 0.38
MEN1 O00255 5/20 0.35
KMT2A Q03164 5/20 0.35
NOS3 P29474 2/20 0.35
NOS1 P29475 2/20 0.35
F2 P00734 1/20 0.35
HTT P42858 3/20 0.35
HPGD P15428 1/20 0.35
TDP1 Q9NUW8 2/20 0.34

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
SCHEMBL6953177 1.00 CYP1A2 (0.56) CYP1A2MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL2479591 0.89 CYP1A2 (0.58) CYP1A2MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL2479589 0.89 CYP1A2 (0.58) CYP1A2MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL10793988 0.85 CYP1A2 (0.54) CYP1A2MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL6953185 0.82 CYP1A2 (0.70) CYP1A2MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL8437175 0.77 ALDH1A1 (0.47) CYP1A2MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL2630510 0.77 MAPT (0.53) CYP1A2MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL8437177 0.77 ALDH1A1 (0.47) CYP1A2MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL269514 0.77 MAPT (0.53) CYP1A2MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL11433045 0.77 CYP1A2 (0.61) CYP1A2MAPTNPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1261587-B1 STILBENE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS ANTIVIRAL AGENTS UNIV BASEL (CH) 2003-07-16 EP claimed
EP-1261587-A1 STILBENE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS ANTIVIRAL AGENTS Universität Basel (CH) 2002-12-04 EP claimed
WO-2001040194-A1 STILBENE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS ANTIVIRAL AGENTS UNIVERSITÄT BASEL (CH) 2001-06-07 WO claimed
EP-1261587-B1 STILBENE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS ANTIVIRAL AGENTS UNIV BASEL (CH) 2003-07-16 EP disclosed
EP-1261587-A1 STILBENE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS ANTIVIRAL AGENTS Universität Basel (CH) 2002-12-04 EP disclosed
WO-2001040194-A1 STILBENE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS ANTIVIRAL AGENTS UNIVERSITÄT BASEL (CH) 2001-06-07 WO disclosed