SCHEMBL5288324

SCHEMBL5288324

CSc1ccc(-c2cc(=O)n(CC#N)c(=O)n2-c2ccc(C)c(C)c2)cc1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
POLB P06746 3/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
PTGS2 P35354 3/20 0.32
NPC1 O15118 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
MAPT P10636 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
RAB9A P51151 1/20 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
SCHEMBL5281280 0.86 PTGS2 (0.39) KDM4EPTGS2
SCHEMBL14624155 0.84 KDM4E (0.33) KDM4EALDH1A1POLBPTGS2NPC1
SCHEMBL5288747 0.84 PTGS2 (0.38) L3MBTL1KDM4EALDH1A1MEN1KMT2A
SCHEMBL5280436 0.78 POLB (0.37) L3MBTL1KDM4EALDH1A1POLBMEN1
SCHEMBL14624160 0.78 HTT (0.35) POLBPTGS2NPC1CYP2C9RAB9A
SCHEMBL5296183 0.76 POLB (0.34) KDM4EALDH1A1POLBMEN1KMT2A
SCHEMBL5325697 0.75 RAD51 (0.40) PTGS2NPC1CYP2C9RAB9A
SCHEMBL5331474 0.74 PTGS2 (0.38) KDM4EMEN1KMT2APTGS2MAPT
SCHEMBL14622453 0.73 CYP11B1 (0.43) KDM4EALDH1A1POLBNPC1RAB9A
SCHEMBL5294487 0.73 POLB (0.39) KDM4EALDH1A1POLBMEN1KMT2A

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 2 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