SCHEMBL7470147

SCHEMBL7470147

C[C@@H](C(=O)O)N(C(=O)NCc1ccccc1)c1cccc2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.50
SMPD2 O60906 1/20 0.46
KDM4E B2RXH2 1/20 0.46
GSK3B P49841 1/20 0.46
KMT2A Q03164 4/20 0.45
ALDH1A1 P00352 4/20 0.43
MEN1 O00255 2/20 0.43
MAPT P10636 1/20 0.43
CARM1 Q86X55 1/20 0.42
PRMT6 Q96LA8 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
EPHX2 P34913 2/20 0.40

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
SCHEMBL7443157 1.00 L3MBTL1 (0.50) L3MBTL1SMPD2KDM4EGSK3BKMT2A
N-Benzylmethylamine SCHEMBL9274090 0.84 L3MBTL1 (0.44) L3MBTL1SMPD2KDM4EGSK3BKMT2A
SCHEMBL9003246 0.82 SMPD2 (0.45) L3MBTL1SMPD2KDM4EKMT2AALDH1A1
SCHEMBL7453130 0.80 KMT2A (0.47) L3MBTL1SMPD2KDM4EKMT2AALDH1A1
SCHEMBL7453131 0.80 KMT2A (0.47) L3MBTL1SMPD2KDM4EKMT2AALDH1A1
SCHEMBL6113113 0.79 SMPD2 (0.47) SMPD2
SCHEMBL6113112 0.79 SMPD2 (0.47) SMPD2
SCHEMBL6119288 0.79 SMPD2 (0.47) SMPD2
SCHEMBL7142898 0.79 SMPD2 (0.43) L3MBTL1SMPD2KDM4EKMT2AALDH1A1
SCHEMBL7448373 0.79 SMPD2 (0.43) L3MBTL1SMPD2KDM4EKMT2AALDH1A1

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
EP-0950046-B1 3,4-DISUBSTITUTED AZETIDIN-2-ONE DERIVATIVES USEFUL AS CYSTEINE PROTEINASE REGULATORS NAEJA PHARMACEUTICAL INC (CA) 2002-04-10 EP claimed