SCHEMBL9751482

SCHEMBL9751482

CN(C)NC(=O)c1cc(Oc2c(F)cc(C(F)(F)F)cc2Cl)ccc1Cl

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 4/20 0.41
SCN9A Q15858 6/20 0.41
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
TLR8 Q9NR97 8/20 0.40
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
BRAF P15056 1/20 0.38
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
TYK2 P29597 1/20 0.37

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
SCHEMBL10809942 0.88 RAF1 (0.45) TLR7SCN9ATLR8BRAFJAK2
SCHEMBL9751534 0.87 TDP1 (0.52) TLR7SCN9ACNR1CNR2TLR8
SCHEMBL10670395 0.84 SCN9A (0.53) SCN9A
SCHEMBL9751346 0.83 MEN1 (0.48) TLR7TLR8
SCHEMBL9751312 0.83 MEN1 (0.41) TLR7SCN9ATLR8CYP11B1CYP11B2
SCHEMBL10800743 0.81 L3MBTL1 (0.44) BRAF
SCHEMBL10806997 0.80 TLR8 (0.38) TLR7SCN9ATLR8BRAFJAK2
SCHEMBL10359624 0.80 TLR8 (0.36) TLR7SCN9ATLR8BRAFJAK2
SCHEMBL9751382 0.79 GAA (0.41) TLR7SCN9ACNR1CNR2TLR8
SCHEMBL10806992 0.79 HTT (0.38) TLR7TLR8

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
US-4992089-A Pre- and postemergence IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-02-12 US disclosed
EP-0228788-B1 HERBICIDAL DERIVATIVES OF SUBSTITUTED BENZOYL-HYDRAZINIUM COMPOUNDS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-12-27 EP disclosed
EP-0228788-A1 Herbicidal derivatives of substituted benzoyl-hydrazinium compounds IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1987-07-15 EP disclosed