SCHEMBL9737137

SCHEMBL9737137

ONC1CCc2cc3ccc(Cl)cc3n21

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.38
HTR2C P28335 2/20 0.38
MAT2A P31153 1/20 0.31
CYP11B2 P19099 1/20 0.30
PRMT5 O14744 1/20 0.30

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
SCHEMBL9736607 0.83 NOTUM (0.39) HTR2AHTR2C
SCHEMBL9736003 0.70 HTR2A (0.34) HTR2AHTR2CMAT2A
SCHEMBL17907979 0.65 PTGDR2 (0.39) HTR2AHTR2C
SCHEMBL13279458 0.63 CCR9 (0.34) HTR2AHTR2C
SCHEMBL906087 0.62 HTR2C (0.55) HTR2AHTR2CMAT2A
SCHEMBL5357231 0.62 HTR2C (0.55) HTR2AHTR2CMAT2A
SCHEMBL906089 0.62 HTR2C (0.55) HTR2AHTR2CMAT2A
SCHEMBL17907965 0.62 HTR2A (0.48) HTR2AHTR2CMAT2A
SCHEMBL9735956 0.60 NOTUM (0.62) HTR2AHTR2CMAT2A
SCHEMBL4039593 0.59 HTR2A (0.48) HTR2AHTR2C

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
WO-1992021678-A1 LIPOXYGENASE INHIBITING PYRROLO [1,2a]INDOLE COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1992-12-10 WO disclosed