SCHEMBL5294487

SCHEMBL5294487

CC(=O)OCSc1ccc(-n2c(-c3ccc(C)cc3)cc(=O)n(CC#N)c2=O)cc1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.39
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
PTGS2 P35354 4/20 0.33
PKM P14618 1/20 0.32
LMNA P02545 2/20 0.32
HTT P42858 2/20 0.32
USP2 O75604 1/20 0.32
CHRNA7 P36544 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPC1 O15118 1/20 0.32
MAPT P10636 1/20 0.32
RAB9A P51151 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
CYP2C19 P33261 1/20 0.31
PTGS1 P23219 2/20 0.31

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
SCHEMBL5292958 0.76 PTGS2 (0.56) PTGS2PTGS1
SCHEMBL5288721 0.75 POLB (0.41) POLBKDM4EALDH1A1TDP1PTGS2
SCHEMBL5281280 0.74 PTGS2 (0.39) KDM4EPTGS2CHRNA7PTGS1
SCHEMBL14622407 0.74 PTGS2 (0.38) ALDH1A1PTGS2LMNAHTTCHRNA7
SCHEMBL5331474 0.73 PTGS2 (0.38) KDM4EPTGS2LMNAHTTCHRNA7
SCHEMBL5288324 0.73 L3MBTL1 (0.36) POLBKDM4EALDH1A1PTGS2NPC1
SCHEMBL5280436 0.73 POLB (0.37) POLBKDM4EALDH1A1TDP1PTGS2
SCHEMBL14624160 0.72 HTT (0.35) POLBPTGS2LMNAHTTCHRNA7
SCHEMBL5326545 0.72 PTGS2 (0.39) KDM4EALDH1A1PTGS2PKMLMNA
SCHEMBL14624155 0.72 KDM4E (0.33) POLBKDM4EALDH1A1PTGS2HTT

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