SCHEMBL30813178

SCHEMBL30813178

O=c1n(Cc2cncc(C(F)(F)F)c2)nc2n1CCCC2

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ DAO P14920 1/20 0.39
▸ PREP P48147 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ GRIN1 Q05586 2/20 0.37
▸ GRIN2B Q13224 2/20 0.37
▸ HTR2C P28335 1/20 0.35
▸ HTR2B P41595 1/20 0.35

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
SCHEMBL30813120 0.84 MEN1 (0.38) PREPMEN1KMT2AHTR2CHTR2B
SCHEMBL30813076 0.84 ALDH1A1 (0.52) MEN1KMT2A
SCHEMBL30813226 0.82 PREP (0.45) PREP
SCHEMBL30813223 0.82 PREP (0.33) PREP
SCHEMBL30813155 0.80 KDM4E (0.50) MEN1KMT2A
SCHEMBL30813103 0.80 PREP (0.36) PREP
SCHEMBL30813132 0.79 LMNA (0.35) PREP
SCHEMBL30813074 0.79 NPSR1 (0.41) KMT2A
SCHEMBL30813161 0.78 MAOB (0.48) PREP
SCHEMBL30813057 0.78 PREP (0.48) PREP

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-3455224-B1 SUBSTITUTED 5,6,7,8-TETRAHYDRO[1,2,4]TRIAZOLO[4,3-A]PYRIDINE-3(2H)-ONES AND 2,5,6,7-TETRAHYDRO-3H-PYRROLO[2,1-C][1,2,4]TRIAZOL-3-ONES, AND USE THEREOF BAYER AG (DE) 2024-03-27 — — EP disclosed
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