SCHEMBL5329856

SCHEMBL5329856

CSc1ccc(-n2c(-c3ccc(C)cc3)cc(=O)n(CC(O)CNCc3ccccc3)c2=O)cc1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 13/20 0.45
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
GAA P10253 1/20 0.37
RAB9A P51151 1/20 0.37
ATM Q13315 1/20 0.37
THRB P10828 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
SCHEMBL14622465 0.90 DNM1 (0.44) DNM1KDM4EALDH1A1MEN1KMT2A
SCHEMBL5328787 0.89 DNM1 (0.44) DNM1KDM4EALDH1A1MEN1LMNA
SCHEMBL5329851 0.88 KDM4E (0.43) DNM1KDM4EALDH1A1MEN1LMNA
SCHEMBL5321578 0.83 PTGS2 (0.37) LMNASMN1; SMN2THRB
SCHEMBL14622410 0.83 MAPT (0.43) KDM4EALDH1A1MEN1LMNAKMT2A
SCHEMBL5323252 0.82 PTGS2 (0.35) LMNASMN1; SMN2RAB9ATHRB
SCHEMBL5322868 0.82 ALDH1A1 (0.39) DNM1KDM4EALDH1A1MEN1LMNA
SCHEMBL5327487 0.81 DNM1 (0.34) DNM1LMNASMN1; SMN2GAATHRB
SCHEMBL14622407 0.78 PTGS2 (0.38) ALDH1A1LMNASMN1; SMN2GAA
SCHEMBL5325599 0.78 KDM4E (0.38) KDM4EALDH1A1MEN1LMNAKMT2A

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