SCHEMBL30813135

SCHEMBL30813135

O=c1n(Cc2ccnc(Cl)c2)nc2n1CCCC2

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ LOX P28300 1/20 0.40
▸ LOXL3 P58215 1/20 0.40
▸ LOXL2 Q9Y4K0 1/20 0.40
▸ MMP2 P08253 1/20 0.38
▸ MMP3 P08254 1/20 0.38
▸ MMP9 P14780 1/20 0.38
▸ MMP13 P45452 1/20 0.38
▸ GRM5 P41594 1/20 0.37
▸ RECQL P46063 1/20 0.37
▸ PREP P48147 1/20 0.34

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
SCHEMBL30813244 0.96 LOX (0.41) LOXLOXL3LOXL2MMP2MMP3
SCHEMBL30813097 0.84 POLB (0.49) PREP
SCHEMBL30813118 0.82 ALDH1A1 (0.45) —
SCHEMBL30813065 0.82 LOXL2 (0.44) LOXLOXL2
SCHEMBL30813139 0.82 LOX (0.44) LOXLOXL2GRM5PREP
SCHEMBL30813108 0.81 GRM5 (0.53) GRM5
SCHEMBL30813113 0.81 GRM5 (0.40) MMP2MMP3MMP9MMP13GRM5
SCHEMBL30813188 0.81 FAAH (0.39) MMP2MMP3MMP9MMP13
SCHEMBL30813224 0.80 LMNA (0.45) —
SCHEMBL30813047 0.79 PREP (0.50) 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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