SCHEMBL10039792

SCHEMBL10039792

COc1cc2cc(C(=O)N[C@H](C)c3cccc4ccccc34)[nH]c2c(OC)c1OC

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.61
▸ MEN1 O00255 2/20 0.61
▸ LMNA P02545 2/20 0.51
▸ KDM4E B2RXH2 2/20 0.51
▸ ALDH1A1 P00352 1/20 0.51
▸ HPGD P15428 1/20 0.51
▸ ROCK2 O75116 1/20 0.51
▸ ROCK1 Q13464 1/20 0.51
▸ PDE2A O00408 1/20 0.48
▸ RCE1 Q9Y256 1/20 0.47
▸ GAA P10253 1/20 0.46
▸ MAPT P10636 1/20 0.44

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
SCHEMBL10039633 0.80 KMT2A (0.72) KMT2AMEN1LMNAKDM4EROCK2
SCHEMBL26098783 0.79 PDE2A (0.57) LMNAPDE2AGAA
SCHEMBL2703655 0.78 PDE2A (0.58) LMNAKDM4EALDH1A1PDE2AGAA
SCHEMBL5827084 0.78 PDE2A (0.58) LMNAKDM4EALDH1A1PDE2AGAA
SCHEMBL19709261 0.78 PDE2A (0.58) LMNAKDM4EALDH1A1PDE2AGAA
SCHEMBL10039657 0.78 KMT2A (0.57) KMT2AMEN1LMNAKDM4EROCK2
SCHEMBL10039604 0.77 MEN1 (0.56) KMT2AMEN1LMNAKDM4EALDH1A1
SCHEMBL10039780 0.73 PDE2A (0.55) LMNAPDE2AGAA
SCHEMBL3772902 0.73 MEN1 (0.60) KMT2AMEN1ALDH1A1ROCK2ROCK1
SCHEMBL3768839 0.73 MEN1 (0.60) KMT2AMEN1ALDH1A1ROCK2ROCK1

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
WO-2012084971-A1 INDOLE DERIVATIVES AS AGENTS AGAINST GRAM-NEGATIVE AND GRAM-POSITIVE BACTERIA CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2012-06-28 — — WO disclosed
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