SCHEMBL5288972

SCHEMBL5288972

CSc1ccc(-n2c(-c3ccc(C)cc3)cc(=O)n(CC(N)=O)c2=O)cc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
PTGS2 P35354 6/20 0.38
CHRNA7 P36544 1/20 0.38
TP53 P04637 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.35
HTT P42858 2/20 0.35
LMNA P02545 1/20 0.35
CYP2C9 P11712 1/20 0.34
PTGS1 P23219 1/20 0.34
THRB P10828 1/20 0.34
MAPT P10636 2/20 0.34
ALDH1A1 P00352 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
KDM4E B2RXH2 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
SCHEMBL5297375 0.90 MEN1 (0.42) MEN1KMT2APTGS2CHRNA7SMN1; SMN2
SCHEMBL5326545 0.90 PTGS2 (0.39) MEN1KMT2APTGS2CHRNA7SMN1; SMN2
SCHEMBL5327308 0.88 HTT (0.37) MEN1KMT2APTGS2CHRNA7TP53
SCHEMBL14622895 0.87 PTGS2 (0.41) KMT2APTGS2SMN1; SMN2MAPTALDH1A1
SCHEMBL5331474 0.86 PTGS2 (0.38) MEN1KMT2APTGS2CHRNA7SMN1; SMN2
SCHEMBL5325697 0.85 RAD51 (0.40) PTGS2CHRNA7SMN1; SMN2HTTLMNA
SCHEMBL5324999 0.85 PTGS2 (0.35) PTGS2CHRNA7SMN1; SMN2HTTLMNA
SCHEMBL5325002 0.85 PTGS2 (0.35) PTGS2CHRNA7SMN1; SMN2HTTLMNA
SCHEMBL5327304 0.84 PTGS2 (0.35) KMT2APTGS2CHRNA7SMN1; SMN2HTT
SCHEMBL5320985 0.82 PTGS2 (0.43) MEN1KMT2APTGS2CHRNA7TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007007161-A2 NOVEL BIO-ACTIVE DERIVATIVES ORCHID RESEARCH LABORATORIES LIMITED (IN) 2007-01-18 WO claimed
WO-2007007161-A2 NOVEL BIO-ACTIVE DERIVATIVES ORCHID RESEARCH LABORATORIES LIMITED (IN) 2007-01-18 WO disclosed
WO-2007007161-A2 NOVEL BIO-ACTIVE DERIVATIVES ORCHID RESEARCH LABORATORIES LIMITED (IN) 2007-01-18 WO disclosed