SCHEMBL10039633

SCHEMBL10039633

COc1cccc2[nH]c(C(=O)N[C@H](C)c3cccc4ccccc34)cc12

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.72
▸ MEN1 O00255 3/20 0.72
▸ RCE1 Q9Y256 1/20 0.72
▸ FLT3 P36888 2/20 0.58
▸ ROCK2 O75116 1/20 0.56
▸ ROCK1 Q13464 1/20 0.56
▸ RAB9A P51151 2/20 0.53
▸ NPC1 O15118 1/20 0.53
▸ POLB P06746 1/20 0.53
▸ PDE2A O00408 1/20 0.51
▸ KDM4E B2RXH2 2/20 0.48
▸ MAPT P10636 2/20 0.48
▸ LMNA P02545 2/20 0.48
▸ PKM P14618 1/20 0.48
▸ HTT P42858 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ GAA P10253 1/20 0.48
▸ HDAC3 O15379 1/20 0.48
▸ HDAC4 P56524 1/20 0.48
▸ HDAC1 Q13547 1/20 0.48

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
SCHEMBL10039657 0.89 KMT2A (0.57) KMT2AMEN1RCE1ROCK2ROCK1
SCHEMBL19709261 0.85 PDE2A (0.58) PDE2AKDM4ELMNAGAA
SCHEMBL2703655 0.85 PDE2A (0.58) PDE2AKDM4ELMNAGAA
SCHEMBL5827084 0.85 PDE2A (0.58) PDE2AKDM4ELMNAGAA
SCHEMBL23836099 0.84 KMT2A (0.77) KMT2AMEN1RCE1FLT3RAB9A
SCHEMBL10039604 0.82 MEN1 (0.56) KMT2AMEN1RCE1FLT3ROCK2
SCHEMBL10039792 0.80 KMT2A (0.61) KMT2AMEN1RCE1ROCK2ROCK1
SCHEMBL31644604 0.79 KMT2A (0.74) KMT2AMEN1RCE1FLT3RAB9A
SCHEMBL10039649 0.79 PYGL (0.53) KMT2AMEN1FLT3PDE2ALMNA
SCHEMBL25789783 0.78 KMT2A (0.69) KMT2AMEN1RCE1FLT3RAB9A

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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