SCHEMBL9736003

SCHEMBL9736003

NC(=O)N(O)C1CCc2cc3ccc(Cl)cc3n21

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
AHR P35869 1/20 0.32
MAT2A P31153 1/20 0.32
SIRT1 Q96EB6 2/20 0.32
ALOX5 P09917 2/20 0.31
ROCK2 O75116 1/20 0.31
PIM1 P11309 1/20 0.31
PIM3 Q86V86 1/20 0.31
KMO O15229 4/20 0.31
PLA2G10 O15496 1/20 0.31
PLA2G2A P14555 1/20 0.31

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
SCHEMBL9656458 0.86 ALOX5 (0.40) ALOX5
SCHEMBL9736815 0.77 NOTUM (0.56) ALOX5PLA2G10
SCHEMBL9737137 0.70 HTR2A (0.38) HTR2AHTR2CMAT2A
SCHEMBL13279458 0.63 CCR9 (0.34) HTR2AHTR2CKMO
SCHEMBL17907979 0.62 PTGDR2 (0.39) HTR2AHTR2CKMO
SCHEMBL9736001 0.62 AHR (0.41) HTR2AHTR2CAHRALOX5
SCHEMBL9535885 0.62 TRPM8 (0.42)
SCHEMBL9735956 0.59 NOTUM (0.62) HTR2AHTR2CMAT2AKMO
SCHEMBL7972927 0.58 ALOX5 (0.40) ALOX5
SCHEMBL7972679 0.58 ALOX5 (0.40) ALOX5

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