SCHEMBL9751382

SCHEMBL9751382

O=C(NN1CCCCC1)c1cc(Oc2c(F)cc(C(F)(F)F)cc2Cl)ccc1Cl

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.41
HTT P42858 1/20 0.41
SCN9A Q15858 1/20 0.39
KMT2A Q03164 1/20 0.39
CNR1 P21554 2/20 0.38
CNR2 P34972 2/20 0.38
TLR8 Q9NR97 4/20 0.37
LIPE Q05469 2/20 0.37
ALDH1A1 P00352 2/20 0.37
PKM P14618 1/20 0.36
TLR7 Q9NYK1 3/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PLA2G7 Q13093 1/20 0.35

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
SCHEMBL9751315 0.88 MEN1 (0.48) GAAHTTKMT2AALDH1A1
SCHEMBL10809942 0.82 RAF1 (0.45) SCN9ATLR8ALDH1A1TLR7
SCHEMBL10359624 0.80 TLR8 (0.36) SCN9AKMT2ATLR8TLR7PLA2G7
SCHEMBL9751312 0.79 MEN1 (0.41) SCN9AKMT2ATLR8TLR7
SCHEMBL9751346 0.79 MEN1 (0.48) KMT2ATLR8ALDH1A1TLR7SMN1; SMN2
SCHEMBL9751482 0.79 TLR7 (0.41) SCN9ACNR1CNR2TLR8TLR7
SCHEMBL10670395 0.78 SCN9A (0.53) SCN9A
SCHEMBL10800743 0.75 L3MBTL1 (0.44) ALDH1A1NPC1RAB9ASMN1; SMN2PLA2G7
SCHEMBL10359559 0.75 TLR8 (0.35) GAAHTTSCN9AKMT2ATLR8
SCHEMBL10806997 0.74 TLR8 (0.38) SCN9ATLR8TLR7NPC1

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