SCHEMBL25461027

SCHEMBL25461027

c1ccc(-c2nc(-c3cccc(-c4cc(-c5cccnc5)ccc4-c4ccccc4-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)nc(-c3ccc4ccccc4c3)n2)cc1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 9/20 0.59
CYP11B1 P15538 9/20 0.59
CYP19A1 P11511 5/20 0.59
CYP17A1 P05093 4/20 0.59
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
SIRT2 Q8IXJ6 2/20 0.44
CYP2A6 P11509 1/20 0.43
PGR P06401 1/20 0.43
KMO O15229 1/20 0.40
PDK2 Q15119 1/20 0.39
FGFR1 P11362 1/20 0.39

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
SCHEMBL25461124 0.96 CYP11B2 (0.54) CYP11B2CYP11B1CYP19A1CYP17A1NPC1
SCHEMBL28972375 0.93 CYP11B2 (0.62) CYP11B2CYP11B1CYP19A1CYP17A1NPC1
SCHEMBL25460895 0.93 CYP11B1 (0.47) CYP11B2CYP11B1CYP19A1CYP17A1NPC1
SCHEMBL27294382 0.91 CYP11B1 (0.48) CYP11B2CYP11B1CYP19A1CYP17A1CYP2A6
SCHEMBL25461008 0.90 CYP11B1 (0.55) CYP11B2CYP11B1CYP19A1CYP17A1NPC1
SCHEMBL25460597 0.89 MEN1 (0.44) CYP11B2CYP11B1CYP19A1CYP17A1CYP2A6
SCHEMBL25461925 0.89 MEN1 (0.44) CYP11B2CYP11B1CYP19A1CYP17A1CYP2A6
SCHEMBL25460997 0.89 CYP11B2 (0.60) CYP11B2CYP11B1CYP19A1CYP17A1NPC1
SCHEMBL21485464 0.89 CYP11B2 (0.60) CYP11B2CYP11B1CYP19A1CYP17A1NPC1
SCHEMBL21481209 0.89 CYP11B2 (0.60) CYP11B2CYP11B1CYP19A1CYP17A1NPC1

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
WO-2023085637-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME 주식회사 엘지화학 2023-05-19 WO disclosed