SCHEMBL30833332

SCHEMBL30833332

COc1cc(OC(F)F)cc(N(C)C(=O)Cl)c1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.40
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
KMT2A Q03164 3/20 0.34
HSD17B2 P37059 2/20 0.33
MEN1 O00255 2/20 0.33
ALDH1A1 P00352 1/20 0.33
HSD17B1 P14061 1/20 0.33
FPR1 P21462 1/20 0.33
FPR2 P25090 1/20 0.33
EPHX2 P34913 1/20 0.33
HTT P42858 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL5333390 0.87 ALDH1A1 (0.44) KMT2AHSD17B2MEN1ALDH1A1HSD17B1
SCHEMBL30833317 0.81 MAPT (0.37) MAPTKDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL30847838 0.78 ALOX15 (0.45) MAPTKDM4ERAB9ASMN1; SMN2KMT2A
SCHEMBL28000518 0.76 ALDH1A1 (0.58) MAPTKDM4EKMT2AALDH1A1
SCHEMBL26473308 0.72 RXRA (0.50) MAPTKDM4ELMNA
SCHEMBL9956630 0.71 HSD17B2 (0.60) HSD17B2HSD17B1
SCHEMBL15864862 0.71 ALDH1A1 (0.46) MAPTKDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL18612985 0.71 ALDH1A1 (0.49) NPC1SMN1; SMN2KMT2AHSD17B2MEN1
SCHEMBL29460229 0.71 ALDH1A1 (0.46) NPC1RAB9ASMN1; SMN2KMT2AHSD17B2
SCHEMBL11854125 0.70 ALDH1A1 (0.51) MAPTNPC1RAB9ASMN1; SMN2KMT2A

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
CN-117736206-A Urea derivatives as MC4R antagonists, pharmaceutical compositions and pharmaceutical applications thereof 长春金赛药业有限责任公司 2024-03-22 CN disclosed