SCHEMBL5297375

SCHEMBL5297375

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

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
POLB P06746 2/20 0.42
ALDH1A1 P00352 1/20 0.42
PKM P14618 1/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
ALOX12 P18054 1/20 0.42
APEX1 P27695 1/20 0.42
HSD17B10 Q99714 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MAPT P10636 4/20 0.39
KDM4E B2RXH2 2/20 0.39
PTGS2 P35354 4/20 0.39
HTT P42858 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 1/20 0.38
CYP2C9 P11712 1/20 0.38
CHRNA7 P36544 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
SCHEMBL5326545 0.91 PTGS2 (0.39) MEN1KMT2AALDH1A1PKMMAPT
SCHEMBL5288972 0.90 MEN1 (0.40) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL14622895 0.88 PTGS2 (0.41) KMT2APOLBALDH1A1HSD17B10MAPT
SCHEMBL5331474 0.87 PTGS2 (0.38) MEN1KMT2AMAPTKDM4EPTGS2
SCHEMBL5325697 0.86 RAD51 (0.40) PTGS2HTTSMN1; SMN2LMNACYP2C9
SCHEMBL5324999 0.86 PTGS2 (0.35) POLBPTGS2HTTSMN1; SMN2LMNA
SCHEMBL5325002 0.86 PTGS2 (0.35) POLBPTGS2HTTSMN1; SMN2LMNA
SCHEMBL5327308 0.85 HTT (0.37) MEN1KMT2AALDH1A1MAPTPTGS2
SCHEMBL5327304 0.85 PTGS2 (0.35) KMT2AALDH1A1MAPTKDM4EPTGS2
SCHEMBL5324682 0.84 THRB (0.35) MEN1KMT2AALDH1A1HPGDMAPT

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