SCHEMBL9190502

SCHEMBL9190502

OCCCCCOc1cccc2nc(Cl)ccc12

nearest known ligand 0.62

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 16/20 0.62
CYBB P04839 7/20 0.50
NOX5 Q96PH1 1/20 0.50
CNR2 P34972 2/20 0.43
CNR1 P21554 1/20 0.41
KCNA3 P22001 1/20 0.41

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
SCHEMBL9189479 1.00 NCF1 (0.62) NCF1CYBBNOX5CNR2CNR1
SCHEMBL2242312 0.79 NCF1 (0.56) NCF1CYBBNOX5
SCHEMBL23412110 0.77 NCF1 (1.00) NCF1CYBBNOX5
SCHEMBL13040594 0.77 NCF1 (0.50) NCF1CYBBNOX5
SCHEMBL9192596 0.75 NCF1 (0.49) NCF1CYBBNOX5
SCHEMBL2905129 0.75 DCPS (0.50) NCF1CYBBNOX5
SCHEMBL9700638 0.74 CNR2 (0.58) NCF1CNR2CNR1KCNA3
SCHEMBL19690971 0.74 CYP3A4 (0.47) NCF1CYBBNOX5
SCHEMBL10985381 0.74 CNR2 (0.48) NCF1CNR2CNR1KCNA3
SCHEMBL19690948 0.74 SETDB1 (0.60) NCF1CYBBNOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0317188-B1 Heteroaromatic enamide derivatives and their use as pesticides ROUSSEL UCLAF (FR) 1995-09-27 EP disclosed
US-5114940-A Insecticides or anthelmintics from fused ring heterocycles containing amides or thioamides ROUSSEL-UCLAF (FR) 1992-05-19 US disclosed
EP-0317188-A2 Heteroaromatic enamide derivatives and their use as pesticides ROUSSEL UCLAF (FR) 1989-05-24 EP disclosed