SCHEMBL5326545

SCHEMBL5326545

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

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 5/20 0.39
HTT P42858 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
CHRNA7 P36544 1/20 0.36
LMNA P02545 1/20 0.36
PKM P14618 1/20 0.35
CYP2C9 P11712 2/20 0.35
THRB P10828 1/20 0.35
KDM4E B2RXH2 2/20 0.34
MAPT P10636 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
PSMD14 O00487 1/20 0.34
ALDH1A1 P00352 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 0.91 MEN1 (0.42) PTGS2HTTSMN1; SMN2CHRNA7LMNA
SCHEMBL5288972 0.90 MEN1 (0.40) PTGS2HTTSMN1; SMN2CHRNA7LMNA
SCHEMBL14622895 0.88 PTGS2 (0.41) PTGS2SMN1; SMN2KDM4EMAPTKMT2A
SCHEMBL5324999 0.88 PTGS2 (0.35) PTGS2HTTSMN1; SMN2CHRNA7LMNA
SCHEMBL5325002 0.88 PTGS2 (0.35) PTGS2HTTSMN1; SMN2CHRNA7LMNA
SCHEMBL5331474 0.87 PTGS2 (0.38) PTGS2HTTSMN1; SMN2CHRNA7LMNA
SCHEMBL5325697 0.86 RAD51 (0.40) PTGS2HTTSMN1; SMN2CHRNA7LMNA
SCHEMBL5331615 0.85 PTGS2 (0.34) PTGS2HTTSMN1; SMN2CHRNA7LMNA
SCHEMBL5331619 0.85 PTGS2 (0.34) PTGS2HTTSMN1; SMN2CHRNA7LMNA
SCHEMBL5327304 0.85 PTGS2 (0.35) PTGS2HTTSMN1; SMN2CHRNA7LMNA

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