SCHEMBL11270993

SCHEMBL11270993

Cc1ncc(-c2ccccc2)c(=O)n1N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.47
NPC1 O15118 4/20 0.44
RAB9A P51151 4/20 0.44
ALDH1A1 P00352 3/20 0.44
PKM P14618 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MAPT P10636 2/20 0.44
LMNA P02545 1/20 0.44
KMT2A Q03164 5/20 0.42
MEN1 O00255 2/20 0.41
ALOX15 P16050 1/20 0.39
MAPK1 P28482 1/20 0.39
HSD17B10 Q99714 1/20 0.39
BRD4 O60885 1/20 0.39
HTT P42858 1/20 0.37
CDK8 P49336 1/20 0.37
ACVR1 Q04771 1/20 0.37
COMT P21964 1/20 0.37
AKT1 P31749 1/20 0.37
AKT2 P31751 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
SCHEMBL10363516 0.74 CYP1A2 (0.52) KDM4ENPC1RAB9AALDH1A1PKM
Metamitron SCHEMBL66369 0.70 KDM4E (0.49) KDM4ENPC1RAB9AALDH1A1PKM
Metamitron SCHEMBL8536394 0.70 KDM4E (0.49) KDM4ENPC1RAB9AALDH1A1PKM
SCHEMBL29126016 0.66 BRD9 (0.51) KDM4EALDH1A1SMN1; SMN2BRD4
SCHEMBL2834048 0.64 GABRA1 (0.44) KDM4EALDH1A1KMT2AMEN1HSD17B10
SCHEMBL30883267 0.64 KDM4E (1.00) KDM4ENPC1RAB9AALDH1A1PKM
SCHEMBL11545985 0.64 MASP2 (0.56) ALDH1A1MAPTLMNA
SCHEMBL1428216 0.64 KDM4E (1.00) KDM4ENPC1RAB9AALDH1A1PKM
SCHEMBL9655128 0.62 KDM4E (0.42) KDM4ENPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL11978674 0.62 AKT1 (0.44) NPC1RAB9ASMN1; SMN2KMT2AMEN1

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
EP-0067382-A2 N-cyclohexyl-chloroacetamides, their preparation and their use in combating undesired plant growth BASF Aktiengesellschaft (DE) 1982-12-22 EP disclosed