SCHEMBL11366642

SCHEMBL11366642

O=S(=O)(O)c1cc(/C=C/c2ccccc2)ccc1/C=C/c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.47
HTR2C P28335 2/20 0.47
KCNH2 Q12809 1/20 0.47
RAD1 O60671 1/20 0.46
P2RY6 Q15077 1/20 0.46
PTPN1 P18031 1/20 0.44
HNF4A P41235 1/20 0.44
ENPP2 Q13822 1/20 0.43
SUMO2 P61956 2/20 0.43
SUMO1 P63165 2/20 0.43
SENP7 Q9BQF6 2/20 0.43
SENP3 Q9H4L4 2/20 0.43
SENP2 Q9HC62 2/20 0.43
SENP1 Q9P0U3 2/20 0.43
TRPA1 O75762 1/20 0.43
RELA Q04206 1/20 0.43
IP6K1 Q92551 1/20 0.41
IP6K3 Q96PC2 1/20 0.41
IP6K2 Q9UHH9 1/20 0.41
MAOA P21397 2/20 0.41

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
SCHEMBL11366643 1.00 HTR2A (0.47) HTR2AHTR2CKCNH2RAD1P2RY6
SCHEMBL7555528 0.91 CYP19A1 (0.47) HTR2AHTR2CKCNH2RAD1P2RY6
SCHEMBL7555524 0.91 CYP19A1 (0.47) HTR2AHTR2CKCNH2RAD1P2RY6
SCHEMBL9247615 0.88 RAD1 (0.45) HTR2AHTR2CKCNH2RAD1P2RY6
SCHEMBL9247621 0.88 RAD1 (0.45) HTR2AHTR2CKCNH2RAD1P2RY6
SCHEMBL5751201 0.85 ALDH1A1 (0.50) HTR2AHTR2CKCNH2RAD1P2RY6
SCHEMBL5751196 0.85 ALDH1A1 (0.50) HTR2AHTR2CKCNH2RAD1P2RY6
SCHEMBL27797862 0.84 MAOA (0.49) PTPN1HNF4ARELAMAOAMAOB
SCHEMBL7590543 0.84 MAOA (0.49) PTPN1HNF4ARELAMAOAMAOB
SCHEMBL7571104 0.84 ENPP2 (0.70) ENPP2MAOA

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-0032661-A1 Process for preparing styryl-sulfonic acid derivatives BAYER AG (DE) 1981-07-29 EP disclosed