SCHEMBL25959540

SCHEMBL25959540

C=c1cnc2cccc(C)c2/c1=C/C

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ELANE P08246 5/20 0.39
PARP1 P09874 2/20 0.39
NPC1 O15118 1/20 0.31
CYP1A2 P05177 1/20 0.30
ADORA3 P0DMS8 1/20 0.30
ADORA2A P29274 1/20 0.30
ADORA1 P30542 1/20 0.30

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
SCHEMBL21297998 0.75 ALDH1A1 (0.40) ELANEPARP1NPC1CYP1A2
SCHEMBL21297984 0.73 PARP1 (0.37) ELANEPARP1NPC1CYP1A2ADORA3
SCHEMBL862362 0.69 ELANE (0.47) ELANEPARP1CYP1A2ADORA3ADORA2A
SCHEMBL21297937 0.67
SCHEMBL30667298 0.66 ELANE (0.44) ELANEPARP1CYP1A2ADORA3ADORA2A
SCHEMBL10147922 0.65 ACHE (0.46) ELANEPARP1CYP1A2
SCHEMBL21297990 0.64 CYP1A2 (0.38) ELANEPARP1CYP1A2
SCHEMBL21297982 0.64 CYP1A2 (0.38) ELANEPARP1NPC1CYP1A2ADORA3
SCHEMBL18596477 0.64 CYP1A2 (0.48) PARP1CYP1A2
SCHEMBL8404515 0.64 ELANE (0.50) ELANEPARP1

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-3615539-B1 2-AMINO-QUINOLINE DERIVATIVES BIRDIE BIOPHARMACEUTICALS INC (KY) 2023-08-09 EP disclosed