SCHEMBL9736815

SCHEMBL9736815

NC(=O)N(O)C1CCc2cc3ccccc3n21.O=C1CCc2cc3ccccc3n21

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.56
ALOX5 P09917 1/20 0.38
PLA2G10 O15496 1/20 0.31
ALDH1A1 P00352 1/20 0.30
TSHR P16473 1/20 0.30
OPRM1 P35372 1/20 0.30
OPRD1 P41143 1/20 0.30
OPRK1 P41145 1/20 0.30
OGFRL1 Q5TC84 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
SCHEMBL9656458 0.90 ALOX5 (0.40) NOTUMALOX5
SCHEMBL9259627 0.75 NOTUM (1.00) NOTUMALDH1A1TSHR
SCHEMBL30615209 0.75 NOTUM (1.00) NOTUMALDH1A1TSHR
SCHEMBL7278393 0.67 NOTUM (0.80) NOTUMALDH1A1TSHR
SCHEMBL12598325 0.65 NOTUM (0.57) NOTUMALDH1A1TSHR
SCHEMBL18229909 0.63 NOTUM (0.46) NOTUMPLA2G10ALDH1A1TSHR
SCHEMBL9736607 0.61 NOTUM (0.39) NOTUMALDH1A1TSHROPRM1OPRD1
SCHEMBL9656449 0.61 ALOX5 (0.37) ALOX5
SCHEMBL7379739 0.60 NOTUM (0.62) NOTUMALDH1A1TSHR
SCHEMBL30684094 0.60 CYP1A2 (0.40) NOTUMALDH1A1TSHROPRM1OPRD1

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