SCHEMBL19072007

SCHEMBL19072007

CCCCCCC1(C)c2cc(C(C)=O)ccc2-c2cc3c4cc(C(C)=O)ccc4n(-c4ccc(C(C)=O)cc4)c3cc21

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ CNR2 P34972 6/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ NPC1 O15118 2/20 0.31
▸ PDK2 Q15119 1/20 0.31
▸ CNR1 P21554 1/20 0.30

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
SCHEMBL19072247 0.92 MEN1 (0.45) MEN1KMT2ACNR2HPGDCNR1
SCHEMBL16480352 0.91 MEN1 (0.35) MEN1KMT2ACNR2ALDH1A1HPGD
SCHEMBL19072066 0.86 KDM4E (0.30) HPGD
SCHEMBL14060898 0.83 MEN1 (0.46) MEN1KMT2ACNR2HPGDCNR1
SCHEMBL19072027 0.80 MEN1 (0.35) MEN1KMT2ACNR2CNR1
SCHEMBL19072009 0.80 KDM4E (0.38) MEN1KMT2ACNR2HPGDCNR1
SCHEMBL16480354 0.78 KDM4E (0.43) HPGD
SCHEMBL16480353 0.77 KDM4E (0.31) CNR2HPGDNPC1
SCHEMBL19261383 0.76 CNR1 (0.32) CNR2CNR1
SCHEMBL16477955 0.74 — —

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-2714659-B1 COMPOUNDS WITH OXIME ESTER AND/OR ACYL GROUPS AMERICAN DYE SOURCE INC (CA) 2017-07-05 — — EP disclosed
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