SCHEMBL4603892

SCHEMBL4603892

C#CCOc1c(F)cc(C(=O)NC2CCC2)c(CC)c1F

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 1/20 0.41
CNR2 P34972 8/20 0.37
CNR1 P21554 7/20 0.37
MAPK1 P28482 1/20 0.37
ALDH1A1 P00352 1/20 0.36
DHODH Q02127 1/20 0.35
KDM1A O60341 1/20 0.35
MAOA P21397 1/20 0.35
GAA P10253 1/20 0.34

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
SCHEMBL4602830 0.98 HPGD (0.44) HPGDRAB9ASMN1; SMN2NPC1CNR2
SCHEMBL4603371 0.96 HPGD (0.42) HPGDRAB9ASMN1; SMN2NPC1CNR2
SCHEMBL4602096 0.89 ALDH1A1 (0.46) HPGDRAB9ASMN1; SMN2CNR2CNR1
SCHEMBL4603936 0.87 ALDH1A1 (0.49) HPGDRAB9ASMN1; SMN2CNR2CNR1
SCHEMBL4603541 0.82 ALDH1A1 (0.48) HPGDRAB9ASMN1; SMN2CNR2CNR1
SCHEMBL4602587 0.82 HPGD (0.42) HPGDRAB9ANPC1CNR2CNR1
SCHEMBL4603506 0.80 HPGD (0.45) HPGDRAB9ASMN1; SMN2NPC1CNR2
SCHEMBL4244964 0.79 MEN1 (0.43) HPGDRAB9ASMN1; SMN2NPC1MAPK1
SCHEMBL4602234 0.77 KDM4E (0.45) RAB9ASMN1; SMN2CNR2CNR1MAPK1
SCHEMBL4248764 0.77 MEN1 (0.46) HPGDRAB9ASMN1; SMN2NPC1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1940780-A1 AMIDE COMPOUNDS AND THEIR USE SUMITOMO CHEMICAL CO., LTD. (JP) 2008-07-09 EP disclosed
WO-2007049728-A1 AMIDE COMPOUNDS AND THEIR USE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-05-03 WO disclosed