SCHEMBL30813118

SCHEMBL30813118

O=c1n(Cc2ccc(Cl)nc2)nc2n1CCCC2

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.45
▸ LMNA P02545 1/20 0.45
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ ATM Q13315 1/20 0.42
▸ CHRNA1 P02708 1/20 0.41
▸ CHRNB2 P17787 1/20 0.41
▸ CHRNA3 P32297 1/20 0.41
▸ CHRNA7 P36544 1/20 0.41
▸ CHRNA4 P43681 1/20 0.41

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
SCHEMBL30813224 0.97 LMNA (0.45) ALDH1A1LMNAMEN1KMT2AATM
SCHEMBL30813143 0.85 PREP (0.40) —
SCHEMBL30813193 0.85 CYP11B1 (0.38) —
SCHEMBL30813135 0.82 LOX (0.40) —
SCHEMBL30813057 0.81 PREP (0.48) —
SCHEMBL30813146 0.81 PRMT5 (0.39) —
SCHEMBL30813207 0.81 ALDH1A1 (0.44) ALDH1A1
SCHEMBL30813047 0.81 PREP (0.50) —
SCHEMBL30813172 0.81 KMT2A (0.44) ALDH1A1MEN1KMT2A
SCHEMBL30813113 0.80 GRM5 (0.40) LMNA

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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