SCHEMBL7555528

SCHEMBL7555528

Nc1ccc(C=Cc2ccc(C=Cc3ccccc3)cc2S(=O)(=O)O)c(S(=O)(=O)O)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 5/20 0.47
MAOA P21397 2/20 0.47
MAOB P27338 2/20 0.47
MAPT P10636 2/20 0.47
KDM4E B2RXH2 1/20 0.47
NSD2 O96028 1/20 0.47
ALDH1A1 P00352 1/20 0.47
POLB P06746 1/20 0.47
GAA P10253 1/20 0.47
APEX1 P27695 1/20 0.47
APOBEC3A P31941 1/20 0.47
RECQL P46063 1/20 0.47
CASP6 P55212 1/20 0.47
APOBEC3G Q9HC16 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
SENP7 Q9BQF6 3/20 0.43
SENP2 Q9HC62 3/20 0.43
SENP1 Q9P0U3 3/20 0.43
SUMO2 P61956 2/20 0.43

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
SCHEMBL7555524 1.00 CYP19A1 (0.47) CYP19A1MAOAMAOBMAPTKDM4E
SCHEMBL5751196 0.96 ALDH1A1 (0.50) CYP19A1MAOAMAOBMAPTKDM4E
SCHEMBL5751201 0.96 ALDH1A1 (0.50) CYP19A1MAOAMAOBMAPTKDM4E
SCHEMBL5749385 0.94 ALDH1A1 (0.49) CYP19A1MAOAMAOBMAPTKDM4E
SCHEMBL5749382 0.94 ALDH1A1 (0.49) CYP19A1MAOAMAOBMAPTKDM4E
SCHEMBL11366643 0.91 HTR2A (0.47) MAOAMAOBSENP7SENP2SENP1
SCHEMBL30010201 0.91 RAD1 (0.46) CYP19A1MAOAMAOBMAPTKDM4E
SCHEMBL11366642 0.91 HTR2A (0.47) MAOAMAOBSENP7SENP2SENP1
SCHEMBL5770397 0.90 CYP19A1 (0.49) CYP19A1MAOAMAOBMAPTKDM4E
SCHEMBL5770400 0.90 CYP19A1 (0.49) CYP19A1MAOAMAOBMAPTKDM4E

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
WO-2002055488-A1 ASYMMETRIC DIVINYLSTILBENE-SULPHONIC ACIDS CIBA SPECIALTY CHEMICALS HOLDINGS INC. (CH) 2002-07-18 WO disclosed
WO-2001092217-A2 PROCESS FOR THE PREPARATION OF AMIDOSTYRYLSTILBENE-DISULPHONIC ACID COMPOUNDS AND NOVEL AMIDOSTYRYLSTILBENE-DISULPHONIC ACID COMPOUNDS AND THEIR USE AS FLUORESCENT WHITENING AGENTS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2001-12-06 WO disclosed