SCHEMBL21941892

SCHEMBL21941892

c1cc(-c2nc3ccccc3nc2-n2c3ccccc3c3cc4c(cc32)sc2ccccc24)cc(-c2cccc3c2sc2c4ccccc4ccc32)c1

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.34
PRKDC P78527 1/20 0.32
CYP1A1 P04798 1/20 0.31
CYP1B1 Q16678 1/20 0.31

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
SCHEMBL21942055 0.97 ALOX5 (0.34) ALOX5PRKDCCYP1A1CYP1B1
SCHEMBL22277007 0.85 CYP1A1 (0.36) CYP1A1CYP1B1
SCHEMBL21942099 0.84 GSR (0.32) CYP1A1CYP1B1
SCHEMBL21942098 0.84 TUBB4A (0.34) CYP1A1CYP1B1
SCHEMBL21942071 0.84 CYP1A1 (0.35) CYP1A1CYP1B1
SCHEMBL21942024 0.83 TUBB4A (0.33)
SCHEMBL21941859 0.83 ALOX5 (0.36) ALOX5PRKDC
SCHEMBL24104960 0.82 ALOX5 (0.45) ALOX5PRKDC
SCHEMBL21282003 0.82 TUBB4A (0.35)
SCHEMBL21942023 0.82 HSD17B10 (0.37)

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-2020085793-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING SAME, AND ELECTRONIC DEVICE COMPRISING SAME 덕산네오룩스 주식회사 2020-04-30 WO disclosed