SCHEMBL10494723

SCHEMBL10494723

NCCc1cn(Cc2ccccc2)c2ccc(CS(N)(=O)=O)cc12

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PLA2G4A P47712 1/20 0.55
▸ EGFR P00533 3/20 0.49
▸ IGF1R P08069 3/20 0.49
▸ FLT4 P35916 3/20 0.49
▸ KDR P35968 3/20 0.49
▸ PLA2G2A P14555 3/20 0.47
▸ HRH1 P35367 1/20 0.47
▸ HTR6 P50406 4/20 0.45
▸ POLB P06746 1/20 0.44
▸ ICMT O60725 4/20 0.43
▸ MTNR1A P48039 1/20 0.43
▸ MTNR1B P49286 1/20 0.43
▸ CA1 P00915 1/20 0.42
▸ CA2 P00918 1/20 0.42
▸ CA5A P35218 1/20 0.42
▸ CA9 Q16790 1/20 0.42

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
SCHEMBL10466866 0.91 PLA2G4A (0.44) PLA2G4AEGFRIGF1RFLT4KDR
SCHEMBL9800395 0.89 PLA2G4A (0.60) PLA2G4AEGFRIGF1RFLT4KDR
SCHEMBL10494701 0.89 EGFR (0.48) PLA2G4AEGFRIGF1RFLT4KDR
SCHEMBL10465300 0.86 EGFR (0.57) EGFRIGF1RFLT4KDRPLA2G2A
SCHEMBL10494798 0.84 HTR6 (0.41) PLA2G4AEGFRIGF1RFLT4KDR
SCHEMBL10494731 0.82 PLA2G4A (0.53) PLA2G4A
SCHEMBL9597127 0.82 HTR6 (0.35) PLA2G4AEGFRIGF1RFLT4KDR
SCHEMBL5918471 0.79 ADRB2 (0.56) HTR6MTNR1AMTNR1BCA1CA2
SCHEMBL29043456 0.79 PLA2G2A (0.69) PLA2G4AEGFRIGF1RFLT4KDR
SCHEMBL31595698 0.78 POLB (0.68) HRH1HTR6POLB

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
US-4816470-A Heterocyclic compounds GLAXO GROUP LIMITED 1989-03-28 — — US disclosed
EP-0145459-A2 Process for the production of chemical compounds GLAXO GROUP LIMITED (GB) 1985-06-19 — — EP disclosed
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