SCHEMBL10039604

SCHEMBL10039604

COc1ccc2cc(C(=O)N[C@H](C)c3cccc4ccccc34)[nH]c2c1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.56
▸ KMT2A Q03164 3/20 0.56
▸ PDGFRB P09619 1/20 0.56
▸ PDGFRA P16234 1/20 0.56
▸ FLT3 P36888 1/20 0.56
▸ MTNR1A P48039 1/20 0.54
▸ MTNR1B P49286 1/20 0.54
▸ NPC1 O15118 2/20 0.53
▸ RAB9A P51151 2/20 0.53
▸ PDE2A O00408 1/20 0.50
▸ KDM4E B2RXH2 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ MAPT P10636 1/20 0.49
▸ RCE1 Q9Y256 1/20 0.48
▸ ROCK2 O75116 1/20 0.48
▸ ROCK1 Q13464 1/20 0.48
▸ LMNA P02545 1/20 0.47
▸ GAA P10253 1/20 0.47
▸ ALOX15 P16050 1/20 0.47

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
SCHEMBL19709261 0.86 PDE2A (0.58) PDE2AKDM4EALDH1A1LMNAGAA
SCHEMBL5827084 0.86 PDE2A (0.58) PDE2AKDM4EALDH1A1LMNAGAA
SCHEMBL2703655 0.86 PDE2A (0.58) PDE2AKDM4EALDH1A1LMNAGAA
SCHEMBL10039657 0.85 KMT2A (0.57) MEN1KMT2ANPC1RAB9APDE2A
SCHEMBL17149927 0.83 KMT2A (0.61) MEN1KMT2APDGFRBPDGFRAFLT3
SCHEMBL10039633 0.82 KMT2A (0.72) MEN1KMT2AFLT3NPC1RAB9A
SCHEMBL17149669 0.80 KMT2A (0.64) MEN1KMT2APDGFRBPDGFRAFLT3
SCHEMBL10039780 0.79 PDE2A (0.55) PDGFRBPDGFRAPDE2ALMNAGAA
SCHEMBL11827562 0.79 KMT2A (0.62) MEN1KMT2ANPC1RAB9AROCK2
SCHEMBL10039649 0.78 PYGL (0.53) MEN1KMT2AFLT3PDE2ALMNA

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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