SCHEMBL29874516

SCHEMBL29874516

O=C(O)c1cn(CCO)c2ccccc2c1=O

nearest known ligand 0.69

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.69
CHRM1 P11229 5/20 0.57
CNR2 P34972 3/20 0.57
KDM4E B2RXH2 1/20 0.50

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
SCHEMBL12168491 0.89 CNR2 (0.65) LMNACNR2
SCHEMBL30384771 0.89 CNR2 (0.65) LMNACNR2
SCHEMBL7914466 0.88 LMNA (0.73) LMNACHRM1CNR2KDM4E
SCHEMBL9029183 0.87 LMNA (0.68) LMNACHRM1CNR2
SCHEMBL9026679 0.84 CNR2 (0.74) LMNACNR2
SCHEMBL30421894 0.83 LMNA (0.71) LMNACHRM1CNR2KDM4E
SCHEMBL1661468 0.83 LMNA (0.71) LMNACHRM1CNR2KDM4E
SCHEMBL4082279 0.83 CNR2 (0.81) LMNACNR2
SCHEMBL9028491 0.83 LMNA (0.63) LMNACHRM1CNR2
Water SCHEMBL10469548 0.82 CNR2 (0.79) LMNACNR2

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-4059923-A1 4-OXOQUINOLINE COMPOUND AND USE THEREOF AS HIV INTEGRASE INHIBITOR Japan Tobacco Inc. (JP) 2022-09-21 EP disclosed