SCHEMBL22700613

SCHEMBL22700613

CC(C)(O)C(C)(C)OBc1cccc2sc3c(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cccc3c12

nearest known ligand 0.31

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.31
TSHR P16473 2/20 0.31
LMNA P02545 1/20 0.31
GAA P10253 1/20 0.31
MAPK1 P28482 1/20 0.31
LIMK1 P53667 1/20 0.31
ALOX5 P09917 1/20 0.31
ADORA3 P0DMS8 1/20 0.30
ADORA2A P29274 1/20 0.30
ADORA2B P29275 1/20 0.30
ADORA1 P30542 1/20 0.30
ABCG2 Q9UNQ0 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
SCHEMBL27452038 0.89 ALOX5 (0.36) LIMK1ALOX5
SCHEMBL24028992 0.86 ABCG2 (0.31) ABCG2
SCHEMBL24028931 0.84 ABCG2 (0.37) ALOX15TSHRLMNAGAAMAPK1
SCHEMBL23098287 0.82 F9 (0.32) LIMK1ALOX5
SCHEMBL27452076 0.81 NQO1 (0.32) ALOX5
SCHEMBL21563732 0.81 TSHR (0.39) ALOX15TSHRLMNAGAAMAPK1
SCHEMBL22136101 0.80 MAPT (0.34) ALOX5
SCHEMBL24031048 0.79 ALDH1A1 (0.31) TSHRMAPK1ALOX5
SCHEMBL19007355 0.79 ADORA1 (0.38) ALOX15TSHRLMNAGAAMAPK1
SCHEMBL22249828 0.79 GPR3 (0.35) LMNAGAAMAPK1

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-2020235976-A1 NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME 주식회사 엘지화학 (KR) 2020-11-26 WO disclosed