SCHEMBL22486568

SCHEMBL22486568

c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5ccc6c7ccccc7sc6c54)c4sc5ccccc5c34)n2)cc1

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TNKS O95271 1/20 0.30
TNKS2 Q9H2K2 1/20 0.30
ALOX5 P09917 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
SCHEMBL22486564 0.93
SCHEMBL22486598 0.90 KDM4E (0.35)
SCHEMBL22487545 0.90
SCHEMBL23595229 0.90 TNKS (0.30) TNKSTNKS2ALOX5
SCHEMBL23623480 0.90 ALOX5 (0.32) TNKSTNKS2ALOX5
SCHEMBL27020961 0.89 ALOX5 (0.39) TNKSTNKS2ALOX5
SCHEMBL22486575 0.88 ALOX5 (0.32) ALOX5
SCHEMBL25660260 0.88 TNKS (0.34) TNKSTNKS2ALOX5
SCHEMBL22487565 0.87 KDM4E (0.35)
SCHEMBL22514670 0.86 ALOX5 (0.33) TNKSTNKS2ALOX5

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-2020197253-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DIODE COMPRISING SAME 주식회사 엘지화학 2020-10-01 WO disclosed