SCHEMBL10039657

SCHEMBL10039657

COc1cc(OC)c2cc(C(=O)N[C@H](C)c3cccc4ccccc34)[nH]c2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 6/20 0.57
▸ MEN1 O00255 4/20 0.57
▸ RCE1 Q9Y256 1/20 0.57
▸ ROCK2 O75116 1/20 0.53
▸ ROCK1 Q13464 1/20 0.53
▸ NPC1 O15118 2/20 0.51
▸ RAB9A P51151 2/20 0.51
▸ KDM4E B2RXH2 2/20 0.50
▸ MAPT P10636 2/20 0.50
▸ POLB P06746 2/20 0.50
▸ MAPK1 P28482 1/20 0.50
▸ NTSR1 P30989 1/20 0.50
▸ NCOA1 Q15788 1/20 0.50
▸ TDP1 Q9NUW8 1/20 0.50
▸ NCOA3 Q9Y6Q9 1/20 0.50
▸ PDE2A O00408 1/20 0.48
▸ HCRTR1 O43613 1/20 0.48
▸ GLA P06280 1/20 0.48
▸ LMNA P02545 1/20 0.46
▸ GAA P10253 1/20 0.46

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 0.89 KMT2A (0.72) KMT2AMEN1RCE1ROCK2ROCK1
SCHEMBL10039604 0.85 MEN1 (0.56) KMT2AMEN1RCE1ROCK2ROCK1
SCHEMBL2703655 0.80 PDE2A (0.58) KDM4EMAPK1PDE2ALMNAGAA
SCHEMBL19709261 0.80 PDE2A (0.58) KDM4EMAPK1PDE2ALMNAGAA
SCHEMBL5827084 0.80 PDE2A (0.58) KDM4EMAPK1PDE2ALMNAGAA
SCHEMBL10039792 0.78 KMT2A (0.61) KMT2AMEN1RCE1ROCK2ROCK1
SCHEMBL10039780 0.75 PDE2A (0.55) POLBPDE2ALMNAGAA
SCHEMBL11827562 0.75 KMT2A (0.62) KMT2AMEN1ROCK2ROCK1NPC1
SCHEMBL10039649 0.74 PYGL (0.53) KMT2AMEN1PDE2ALMNAGAA
SCHEMBL26098783 0.73 PDE2A (0.57) PDE2ALMNAGAA

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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