SCHEMBL4753733

SCHEMBL4753733

CN(CC(=O)N(CCC#N)c1cccc(Cl)c1)C(=O)O

nearest known ligand 0.70

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.70
RAB9A P51151 2/20 0.70
SMN1; SMN2 Q16637 2/20 0.70
HTT P42858 2/20 0.70
LMNA P02545 2/20 0.47
NPC1 O15118 1/20 0.47
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
KDM4E B2RXH2 2/20 0.44
THRB P10828 1/20 0.44
HSD17B10 Q99714 2/20 0.41
USP2 O75604 1/20 0.41
FNIP1 Q8TF40 1/20 0.41
FEM1B Q9UK73 1/20 0.41
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
MLYCD O95822 1/20 0.39
LIMK1 P53667 1/20 0.38
LIMK2 P53671 1/20 0.38

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
SCHEMBL499183 0.85 ALDH1A1 (0.61) ALDH1A1RAB9ASMN1; SMN2HTTLMNA
SCHEMBL23818006 0.82 ALDH1A1 (1.00) ALDH1A1RAB9ASMN1; SMN2HTTLMNA
SCHEMBL11414694 0.70 MAPT (0.62) ALDH1A1RAB9ASMN1; SMN2HTTLMNA
SCHEMBL25455111 0.69 ALDH1A1 (0.76) ALDH1A1RAB9ASMN1; SMN2HTTLMNA
SCHEMBL11771699 0.69 ALDH1A1 (0.56) ALDH1A1RAB9ASMN1; SMN2HTTLMNA
SCHEMBL10272675 0.69 HSD17B10 (0.60) ALDH1A1RAB9ASMN1; SMN2HTTLMNA
SCHEMBL23818000 0.69 ALDH1A1 (0.72) ALDH1A1RAB9ASMN1; SMN2HTTLMNA
SCHEMBL25455165 0.69 ALDH1A1 (0.70) ALDH1A1RAB9ASMN1; SMN2HTTLMNA
SCHEMBL11401275 0.68 ALDH1A1 (0.55) ALDH1A1RAB9ASMN1; SMN2HTTLMNA
SCHEMBL11422402 0.68 HSD17B10 (0.67) ALDH1A1RAB9ASMN1; SMN2HTTLMNA

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
WO-2008156816-A2 RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. (US) 2008-12-24 WO disclosed