SCHEMBL13017614

SCHEMBL13017614

Cc1cc(=O)nc(NC=O)[nH]1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TYMS P04818 1/20 0.38
▸ MAPT P10636 1/20 0.34
▸ GAA P10253 3/20 0.33
▸ ADORA2A P29274 1/20 0.33
▸ ADORA1 P30542 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ CA1 P00915 1/20 0.32
▸ CYP1A2 P05177 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ LPO P22079 1/20 0.31
▸ PTGS1 P23219 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL19957234 0.79 XDH (0.42) TYMSMAPTGAAADORA2AADORA1
SCHEMBL13740025 0.77 GAA (0.56) MAPTGAAADORA2AADORA1NPC1
SCHEMBL13287240 0.73 KDM4E (0.47) GAAADORA2AADORA1KMT2ACYP1A2
SCHEMBL12462229 0.71 CYP3A4 (0.45) MAPTGAAADORA2AADORA1NPC1
SCHEMBL9070685 0.70 SMN1; SMN2 (0.39) MAPTGAANPC1KMT2AMEN1
SCHEMBL9377909 0.69 GPR84 (0.51) KDM4E
SCHEMBL8404456 0.69 — —
SCHEMBL9879379 0.68 MEN1 (0.64) MAPTGAAKMT2AMEN1KDM4E
SCHEMBL12374464 0.68 TUBB4A (0.33) MAPTGAAADORA2AADORA1NPC1
SCHEMBL21122914 0.68 GAA (0.38) MAPTGAAADORA2AADORA1NPC1

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
EP-2263647-A1 Composition for treating keratin fibres, comprising a polyalkene-based supramolecular polymer, a block polymer and a volatile solvent L'Oréal (FR) 2010-12-22 — — EP disclosed
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