SCHEMBL5887620

SCHEMBL5887620

Cc1nc(N2CCC[C@H]2C(=O)O)nc2c1ccc(=O)n2-c1ccc(C(=O)NCC2CCCO2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 12/20 0.54
SMN1; SMN2 Q16637 6/20 0.54
RAB9A P51151 3/20 0.54
LMNA P02545 3/20 0.54
POLB P06746 1/20 0.54
MAPT P10636 1/20 0.54
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 6/20 0.44
NPC1 O15118 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
RXFP1 Q9HBX9 1/20 0.43
CYP2C9 P11712 2/20 0.43
HTT P42858 2/20 0.43
HSD17B10 Q99714 2/20 0.43
CYP1A2 P05177 2/20 0.43
KDM4E B2RXH2 1/20 0.43
GLA P06280 1/20 0.43
CYP3A4 P08684 1/20 0.43
GAA P10253 1/20 0.43

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
SCHEMBL5886952 0.88 HPGD (0.58) HPGDSMN1; SMN2RAB9ALMNAPOLB
SCHEMBL5886906 0.87 MMP13 (0.40) HPGDSMN1; SMN2RAB9ALMNAPOLB
SCHEMBL5887047 0.85 HPGD (0.54) HPGDSMN1; SMN2RAB9ALMNAPOLB
SCHEMBL5886972 0.85 MEN1 (0.37) HPGDSMN1; SMN2RAB9ALMNAPOLB
SCHEMBL5886978 0.85 HPGD (0.54) HPGDSMN1; SMN2RAB9ALMNAPOLB
SCHEMBL5886746 0.84 ALDH1A1 (0.44) SMN1; SMN2RAB9ALMNAPOLBMAPT
SCHEMBL5887294 0.83 MAPK8 (0.40) HPGDSMN1; SMN2RAB9ALMNAMAPT
SCHEMBL5887335 0.83 L3MBTL1 (0.39) HPGDSMN1; SMN2LMNAKMT2AALDH1A1
SCHEMBL5886844 0.83 MAPT (0.44) HPGDSMN1; SMN2RAB9ALMNAMAPT
SCHEMBL5887213 0.82 HPGD (0.45) HPGDSMN1; SMN2LMNAPOLBMAPT

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
US-7019002-B2 Substituted on 8th position with benzoic acid, ester or amide groups; anticancer agents PHARMACIA & UPJOHN, S.P.A. (IT) 2006-03-28 US claimed