SCHEMBL11684694

SCHEMBL11684694

Cc1ccc(S(=O)(=O)Br)c2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.54
CYP2A6 P11509 3/20 0.42
LDHA P00338 1/20 0.38
MAPT P10636 2/20 0.38
KDM4E B2RXH2 1/20 0.38
PABPC1 P11940 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ALDH1A1 P00352 1/20 0.37
MAPK10 P53779 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
TSHR P16473 1/20 0.34
PKM P14618 1/20 0.34
HTR2B P41595 1/20 0.34
HTR6 P50406 1/20 0.34
SUMO2 P61956 1/20 0.33
SUMO1 P63165 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP3 Q9H4L4 1/20 0.33
SENP2 Q9HC62 1/20 0.33

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
SCHEMBL15461564 0.81 CYP1A2 (0.56) CYP1A2CYP2A6LDHAMAPTKDM4E
SCHEMBL2649239 0.79 LDHA (0.62) CYP1A2CYP2A6LDHAALDH1A1
SCHEMBL640546 0.79 CYP1A2 (0.54) CYP1A2CYP2A6LDHAMAPTKDM4E
SCHEMBL29469846 0.79 LDHA (0.62) CYP1A2CYP2A6LDHAALDH1A1
SCHEMBL2662857 0.79 CYP1A2 (0.54) CYP1A2CYP2A6LDHAALDH1A1SUMO2
SCHEMBL30274447 0.78 CYP1A2 (0.52) CYP1A2CYP2A6LDHAMAPTKDM4E
SCHEMBL11192937 0.78 CYP1A2 (0.52) CYP1A2CYP2A6LDHAMAPTKDM4E
SCHEMBL10449646 0.77 CDK2 (0.46) CYP1A2LDHAKDM4ESMN1; SMN2HTR6
SCHEMBL23989157 0.76 CYP1A2 (0.62) CYP1A2CYP2A6LDHAMAPTKDM4E
SCHEMBL10730555 0.75 TTR (0.50) LDHAALDH1A1TSHRGAA

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
US-4046656-A Photochlorination process for methyl aromatic compounds THE DOW CHEMICAL COMPANY (US) 1977-09-06 US disclosed