SCHEMBL4603371

SCHEMBL4603371

C#CCOc1c(F)cc(C(=O)NC2CC2)c(CC)c1F

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.42
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
POLB P06746 2/20 0.36
ALDH1A1 P00352 1/20 0.35
CNR1 P21554 6/20 0.35
CNR2 P34972 6/20 0.35
GAA P10253 2/20 0.34
MAPK1 P28482 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
HTR2A P28223 1/20 0.34
MAPK14 Q16539 1/20 0.33
CRHR1 P34998 1/20 0.33
CRHR2 Q13324 1/20 0.33
IRAK4 Q9NWZ3 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
SCHEMBL4602830 0.96 HPGD (0.44) HPGDNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL4603892 0.96 HPGD (0.41) HPGDNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL4603936 0.84 ALDH1A1 (0.49) HPGDRAB9ASMN1; SMN2POLBALDH1A1
SCHEMBL4602096 0.84 ALDH1A1 (0.46) HPGDRAB9ASMN1; SMN2POLBALDH1A1
SCHEMBL4602234 0.81 KDM4E (0.45) RAB9ASMN1; SMN2POLBALDH1A1CNR1
SCHEMBL4603249 0.81 HTR2A (0.41) HPGDPOLBALDH1A1CNR1CNR2
SCHEMBL4244880 0.78 MAPK14 (0.42) HPGDNPC1RAB9AMEN1KMT2A
SCHEMBL4603541 0.78 ALDH1A1 (0.48) HPGDRAB9ASMN1; SMN2POLBALDH1A1
SCHEMBL4602587 0.77 HPGD (0.42) HPGDNPC1RAB9APOLBALDH1A1
SCHEMBL4603506 0.77 HPGD (0.45) HPGDNPC1RAB9ASMN1; SMN2ALDH1A1

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