SCHEMBL6959324

SCHEMBL6959324

COC(=O)c1c(C)nc(C)c(C(=O)O)c1-c1ccc(Cl)c([N+](=O)[O-])c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.45
▸ LMNA P02545 2/20 0.44
▸ NCOA1 Q15788 1/20 0.43
▸ NCOA3 Q9Y6Q9 1/20 0.43
▸ ABCG2 Q9UNQ0 1/20 0.43
▸ MEN1 O00255 5/20 0.42
▸ KMT2A Q03164 5/20 0.42
▸ ALDH1A1 P00352 4/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ MAPT P10636 2/20 0.40
▸ RAF1 P04049 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ GFER P55789 1/20 0.40
▸ PAX8 Q06710 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ GAA P10253 2/20 0.40
▸ HTT P42858 1/20 0.40
▸ PLA2G2A P14555 1/20 0.39
▸ F2 P00734 1/20 0.39

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
SCHEMBL6959311 1.00 KDM4E (0.45) KDM4ELMNANCOA1NCOA3ABCG2
SCHEMBL4384277 0.81 ALDH1A1 (0.64) KDM4ELMNAMEN1KMT2AALDH1A1
SCHEMBL6956520 0.81 ALDH1A1 (0.64) KDM4ELMNAMEN1KMT2AALDH1A1
SCHEMBL6960216 0.79 KMT2A (0.61) KDM4ELMNAMEN1KMT2AALDH1A1
SCHEMBL2636596 0.77 KMT2A (0.49) KDM4ELMNAABCG2MEN1KMT2A
SCHEMBL6949727 0.77 KMT2A (0.49) KDM4ELMNAABCG2MEN1KMT2A
SCHEMBL29383650 0.77 KMT2A (0.49) KDM4ELMNAABCG2MEN1KMT2A
SCHEMBL6960507 0.76 PLA2G2A (0.55) KDM4ELMNAABCG2MEN1KMT2A
SCHEMBL10746185 0.75 ALDH1A1 (0.70) KDM4ELMNAABCG2MEN1KMT2A
SCHEMBL10566353 0.74 ALDH1A1 (0.44) KDM4EMEN1KMT2AALDH1A1SMN1; SMN2

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-1023267-B1 PYRIDYL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM CERMOL SA (CH) 2003-09-17 — — EP claimed
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