SCHEMBL10039780

SCHEMBL10039780

Cc1ccc2[nH]c(C(=O)N[C@H](C)c3cccc4ccccc34)cc2c1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PDE2A O00408 1/20 0.55
▸ TP53 P04637 1/20 0.55
▸ POLB P06746 1/20 0.55
▸ PDGFRB P09619 1/20 0.53
▸ PDGFRA P16234 1/20 0.53
▸ LMNA P02545 1/20 0.50
▸ GAA P10253 1/20 0.50
▸ PIN1 Q13526 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
SCHEMBL19709261 0.89 PDE2A (0.58) PDE2ALMNAGAA
SCHEMBL2703655 0.89 PDE2A (0.58) PDE2ALMNAGAA
SCHEMBL5827084 0.89 PDE2A (0.58) PDE2ALMNAGAA
SCHEMBL10039649 0.88 PYGL (0.53) PDE2ALMNAGAA
SCHEMBL10039781 0.85 PDE2A (0.49) PDE2ALMNAGAA
SCHEMBL17149620 0.82 TP53 (0.64) TP53POLBPDGFRBPDGFRAPIN1
SCHEMBL26098783 0.81 PDE2A (0.57) PDE2ALMNAGAA
SCHEMBL9956140 0.81 KDM4E (0.59) PDGFRBPDGFRALMNAGAA
SCHEMBL10039604 0.79 MEN1 (0.56) PDE2APDGFRBPDGFRALMNAGAA
SCHEMBL14845690 0.79 PIN1 (0.62) TP53POLBPDGFRBPDGFRAPIN1

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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