SCHEMBL10039649

SCHEMBL10039649

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

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PYGL P06737 2/20 0.53
▸ FLT3 P36888 2/20 0.52
▸ PDE2A O00408 1/20 0.52
▸ LMNA P02545 1/20 0.49
▸ GAA P10253 1/20 0.49
▸ PPARG P37231 1/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ SMYD3 Q9H7B4 1/20 0.48
▸ HDAC3 O15379 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ HDAC1 Q13547 1/20 0.47
▸ HDAC6 Q9UBN7 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
SCHEMBL5827084 0.88 PDE2A (0.58) PDE2ALMNAGAA
SCHEMBL2703655 0.88 PDE2A (0.58) PDE2ALMNAGAA
SCHEMBL19709261 0.88 PDE2A (0.58) PDE2ALMNAGAA
SCHEMBL10039780 0.88 PDE2A (0.55) PDE2ALMNAGAA
SCHEMBL10039781 0.84 PDE2A (0.49) PDE2ALMNAGAAMEN1KMT2A
SCHEMBL17149666 0.82 PYGL (0.60) PYGLFLT3LMNAGAAMEN1
SCHEMBL17149882 0.82 PYGL (0.60) PYGLFLT3LMNAGAAMEN1
SCHEMBL17149890 0.82 PYGL (0.60) PYGLFLT3LMNAGAAMEN1
SCHEMBL17149653 0.81 PYGL (0.53) PYGLFLT3LMNAMEN1KMT2A
SCHEMBL9956140 0.80 KDM4E (0.59) PYGLFLT3LMNAGAACYP2C9

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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