SCHEMBL10039781

SCHEMBL10039781

C[C@@H](NC(=O)c1cc2cc(S(C)(=O)=O)ccc2[nH]1)c1cccc2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PDE2A O00408 1/20 0.49
▸ LMNA P02545 1/20 0.47
▸ GAA P10253 1/20 0.47
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43

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
SCHEMBL5827084 0.85 PDE2A (0.58) PDE2ALMNAGAA
SCHEMBL19709261 0.85 PDE2A (0.58) PDE2ALMNAGAA
SCHEMBL2703655 0.85 PDE2A (0.58) PDE2ALMNAGAA
SCHEMBL10039780 0.85 PDE2A (0.55) PDE2ALMNAGAA
SCHEMBL10039649 0.84 PYGL (0.53) PDE2ALMNAGAAMEN1KMT2A
SCHEMBL10039783 0.78 CASR (0.71) —
SCHEMBL9956140 0.77 KDM4E (0.59) LMNAGAA
SCHEMBL10039604 0.76 MEN1 (0.56) PDE2ALMNAGAAMEN1KMT2A
SCHEMBL26098783 0.76 PDE2A (0.57) PDE2ALMNAGAA
SCHEMBL10039633 0.74 KMT2A (0.72) PDE2ALMNAGAAMEN1KMT2A

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
Send feedback