SCHEMBL10494701

SCHEMBL10494701

NCCc1cn(CCc2ccccc2)c2ccc(CS(N)(=O)=O)cc12

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 5/20 0.48
▸ IGF1R P08069 5/20 0.48
▸ FLT4 P35916 5/20 0.48
▸ KDR P35968 5/20 0.48
▸ PLA2G4A P47712 5/20 0.46
▸ HTR6 P50406 6/20 0.44
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ CA5A P35218 1/20 0.41
▸ CA9 Q16790 1/20 0.41
▸ HRH1 P35367 1/20 0.39
▸ HTR2A P28223 1/20 0.37
▸ PLA2G2A P14555 1/20 0.37

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
SCHEMBL10494723 0.89 PLA2G4A (0.55) EGFRIGF1RFLT4KDRPLA2G4A
SCHEMBL10465297 0.87 EGFR (0.53) EGFRIGF1RFLT4KDRPLA2G4A
SCHEMBL10494798 0.83 HTR6 (0.41) EGFRIGF1RFLT4KDRPLA2G4A
SCHEMBL10494731 0.81 PLA2G4A (0.53) PLA2G4A
SCHEMBL9597127 0.81 HTR6 (0.35) EGFRIGF1RFLT4KDRPLA2G4A
SCHEMBL10464116 0.81 EGFR (0.58) EGFRIGF1RFLT4KDRPLA2G4A
SCHEMBL5918471 0.80 ADRB2 (0.56) HTR6CA1CA2CA5ACA9
SCHEMBL10466866 0.80 PLA2G4A (0.44) EGFRIGF1RFLT4KDRPLA2G4A
Hydrochloric Acid SCHEMBL7558473 0.79 ADRB2 (0.54) EGFRIGF1RFLT4KDRHTR6
SCHEMBL9800395 0.79 PLA2G4A (0.60) EGFRIGF1RFLT4KDRPLA2G4A

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-4816470-A Heterocyclic compounds GLAXO GROUP LIMITED 1989-03-28 — — US disclosed
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