SCHEMBL6953185

SCHEMBL6953185

CC(=O)C(N=Nc1ccccc1)C(N)=O

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.70
NOS3 P29474 3/20 0.44
NOS1 P29475 3/20 0.44
MAPT P10636 5/20 0.42
RAB9A P51151 3/20 0.42
NPC1 O15118 3/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TRPA1 O75762 1/20 0.40
CASP3 P42574 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
KDM4E B2RXH2 1/20 0.38
HSP90AA1 P07900 1/20 0.38
MAPK1 P28482 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL2479589 0.89 CYP1A2 (0.58) CYP1A2NOS3NOS1MAPTRAB9A
SCHEMBL2479591 0.89 CYP1A2 (0.58) CYP1A2NOS3NOS1MAPTRAB9A
SCHEMBL10793988 0.85 CYP1A2 (0.54) CYP1A2NOS3NOS1MAPTRAB9A
SCHEMBL6953181 0.82 CYP1A2 (0.56) CYP1A2NOS3NOS1MAPTRAB9A
SCHEMBL2476224 0.82 CYP1A2 (1.00) CYP1A2NOS3NOS1MAPTRAB9A
SCHEMBL6953177 0.82 CYP1A2 (0.56) CYP1A2NOS3NOS1MAPTRAB9A
SCHEMBL26109908 0.82 CYP1A2 (1.00) CYP1A2NOS3NOS1MAPTRAB9A
SCHEMBL269514 0.77 MAPT (0.53) CYP1A2MAPTRAB9ANPC1SMN1; SMN2
SCHEMBL2630510 0.77 MAPT (0.53) CYP1A2MAPTRAB9ANPC1SMN1; SMN2
SCHEMBL8437175 0.77 ALDH1A1 (0.47) CYP1A2MAPTRAB9ANPC1SMN1; 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