SCHEMBL9597127

SCHEMBL9597127

C=CCn1cc(CCN)c2cc(CS(N)(=O)=O)ccc21

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 6/20 0.35
▸ PLA2G4A P47712 1/20 0.35
▸ EGFR P00533 6/20 0.35
▸ IGF1R P08069 6/20 0.35
▸ FLT4 P35916 6/20 0.35
▸ KDR P35968 6/20 0.35
▸ ADRB2 P07550 1/20 0.34
▸ HTR1D P28221 1/20 0.34
▸ CNR2 P34972 3/20 0.34
▸ KMT2A Q03164 1/20 0.33
▸ CNR1 P21554 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.32
▸ HPGD P15428 1/20 0.32

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
SCHEMBL10494798 0.85 HTR6 (0.41) HTR6PLA2G4AEGFRIGF1RFLT4
SCHEMBL10494723 0.82 PLA2G4A (0.55) HTR6PLA2G4AEGFRIGF1RFLT4
SCHEMBL10466866 0.82 PLA2G4A (0.44) HTR6PLA2G4AEGFRIGF1RFLT4
SCHEMBL10494701 0.81 EGFR (0.48) HTR6PLA2G4AEGFRIGF1RFLT4
SCHEMBL10718886 0.81 ICMT (0.45) PLA2G4ACNR2CNR1
SCHEMBL5918471 0.80 ADRB2 (0.56) HTR6ADRB2HTR1D
Hydrochloric Acid SCHEMBL7558473 0.79 ADRB2 (0.54) HTR6EGFRIGF1RFLT4KDR
SCHEMBL10465300 0.78 EGFR (0.57) HTR6EGFRIGF1RFLT4KDR
SCHEMBL10465297 0.78 EGFR (0.53) HTR6PLA2G4AEGFRIGF1RFLT4
SCHEMBL9800371 0.77 HTR6 (0.44) HTR6HTR1D

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4816470-A Heterocyclic compounds GLAXO GROUP LIMITED 1989-03-28 — — US claimed
US-5270333-A Pharmaceutical GLAXO GROUP LIMITED (GB) 1993-12-14 — — US disclosed
WO-1992014708-A1 INDOLE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM GLAXO GROUP LIMITED (GB) 1992-09-03 — — WO disclosed
EP-0500086-A1 Indole derivatives, their use as medicines and pharmaceutical compositions containing them GLAXO GROUP LIMITED (GB) 1992-08-26 — — EP disclosed
EP-0242939-B1 INDOLE DERIVATIVES GLAXO GROUP LIMITED (GB) 1991-05-08 — — EP disclosed
US-4816470-A Heterocyclic compounds GLAXO GROUP LIMITED 1989-03-28 — — US disclosed
EP-0242939-A1 Indole derivatives GLAXO GROUP LIMITED (GB) 1987-10-28 — — EP disclosed
EP-0145459-A2 Process for the production of chemical compounds GLAXO GROUP LIMITED (GB) 1985-06-19 — — EP disclosed
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