SCHEMBL5332569

SCHEMBL5332569

CSc1ccc(-c2cc(=O)n(CCCCN3C(=O)c4ccccc4C3=O)c(=O)n2-c2ccc(C)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 0.39
CHRM2 P08172 1/20 0.38
LMNA P02545 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HTT P42858 3/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
CYP2C9 P11712 1/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
HPGD P15428 3/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TSHR P16473 2/20 0.35
USP2 O75604 1/20 0.35
ALDH1A1 P00352 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
MAPK1 P28482 1/20 0.35

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
SCHEMBL5320985 0.84 PTGS2 (0.43) LMNASMN1; SMN2HTTCYP2C9MEN1
SCHEMBL5296183 0.83 POLB (0.34) LMNASMN1; SMN2HTTCYP2C9MEN1
SCHEMBL5324453 0.82 CSF1R (0.40) LMNAHTTCYP1A2CYP2D6CYP2C9
SCHEMBL5325697 0.81 RAD51 (0.40) LMNASMN1; SMN2HTTCYP2C9TSHR
SCHEMBL5331474 0.80 PTGS2 (0.38) LMNASMN1; SMN2HTTCYP2C9MEN1
SCHEMBL5330480 0.79 THRB (0.36) LMNASMN1; SMN2HTTCYP2C9
SCHEMBL5332575 0.79 LMNA (0.40) CHRM2LMNASMN1; SMN2HTTMEN1
SCHEMBL5328124 0.78 PTGS2 (0.37) SMN1; SMN2HTTCYP2C9TSHRTDP1
SCHEMBL5320843 0.78 DRD2 (0.44) LMNASMN1; SMN2HTTHPGDALDH1A1
SCHEMBL5325596 0.77 MEN1 (0.41) HTTMEN1KMT2AALDH1A1MAPK1

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