SCHEMBL5886804

SCHEMBL5886804

COC(=O)c1ccc(CNC(=O)c2ccc(-n3c(=O)ccc4c(C)nc(N5CCN(C(=O)O)CC5)nc43)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.42
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.42
CYP2C19 P33261 1/20 0.42
LMNA P02545 3/20 0.41
MAPT P10636 2/20 0.41
MAPK8 P45983 7/20 0.40
MAPK9 P45984 3/20 0.40
MAPK10 P53779 3/20 0.40
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ALDH1A1 P00352 2/20 0.39
POLB P06746 1/20 0.38
EGFR P00533 1/20 0.36
SRC P12931 1/20 0.36
CYP2C9 P11712 1/20 0.36

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
SCHEMBL5887428 0.94 SMN1; SMN2 (0.42) SMN1; SMN2KMT2AMEN1CYP2C19LMNA
SCHEMBL5886700 0.92 MGLL (0.42) SMN1; SMN2KMT2AMEN1CYP2C19LMNA
SCHEMBL5887316 0.92 SMN1; SMN2 (0.45) SMN1; SMN2KMT2AMEN1CYP2C19LMNA
SCHEMBL5886964 0.92 MAPK8 (0.45) SMN1; SMN2KMT2AMEN1CYP2C19LMNA
SCHEMBL5886773 0.92 KMT2A (0.46) SMN1; SMN2KMT2AMEN1CYP2C19LMNA
SCHEMBL5886882 0.92 MAPT (0.43) SMN1; SMN2KMT2AMEN1CYP2C19LMNA
SCHEMBL5887019 0.91 ALDH1A1 (0.41) SMN1; SMN2KMT2AMEN1CYP2C19LMNA
SCHEMBL5886747 0.90 SMN1; SMN2 (0.42) SMN1; SMN2KMT2AMEN1CYP2C19LMNA
SCHEMBL5887099 0.90 SMN1; SMN2 (0.42) SMN1; SMN2KMT2AMEN1CYP2C19LMNA
SCHEMBL5886763 0.90 SMN1; SMN2 (0.42) SMN1; SMN2KMT2AMEN1CYP2C19LMNA

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 disclosed