SCHEMBL25964834

SCHEMBL25964834

c1ccc(-c2nc(-c3ccc(-n4c5ccccc5c5c6c7ccccc7n(-c7ccccc7)c6ccc54)cc3)nc(-c3cccc4c3oc3ccccc34)n2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.39
MAPT P10636 5/20 0.36
KDM4E B2RXH2 4/20 0.35
ALDH1A1 P00352 4/20 0.35
TSHR P16473 3/20 0.35
POLB P06746 2/20 0.35
ATM Q13315 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
LMNA P02545 5/20 0.35
HSD17B10 Q99714 2/20 0.35
MAPK1 P28482 1/20 0.35
PRKDC P78527 2/20 0.35
PIK3CD O00329 1/20 0.35
PIK3CB P42338 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.33
HPGD P15428 1/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
GGPS1 O95749 1/20 0.32

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
SCHEMBL24801446 0.95 ALOX5 (0.37) ALOX5MAPTKDM4EALDH1A1TSHR
SCHEMBL16811431 0.95 ALOX5 (0.37) ALOX5MAPTKDM4EALDH1A1TSHR
SCHEMBL24078514 0.95 ALOX5 (0.37) ALOX5MAPTKDM4EALDH1A1TSHR
SCHEMBL19769804 0.95 ALOX5 (0.36) ALOX5MAPTKDM4EALDH1A1TSHR
SCHEMBL25964830 0.94 ALOX5 (0.37) ALOX5MAPTKDM4EALDH1A1TSHR
SCHEMBL16810982 0.94 ALOX5 (0.39) ALOX5MAPTKDM4EALDH1A1TSHR
SCHEMBL16810894 0.94 MAPT (0.39) ALOX5MAPTKDM4EALDH1A1TSHR
SCHEMBL24154400 0.93 ALOX5 (0.37) ALOX5MAPTKDM4EALDH1A1TSHR
SCHEMBL21925477 0.93 ALOX5 (0.37) ALOX5MAPTKDM4EALDH1A1TSHR
SCHEMBL24681584 0.93 ALOX5 (0.38) ALOX5MAPTKDM4EALDH1A1TSHR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230255106-A1 ORGANIC ELECTROLUMINESCENT APPARATUS MERCK PATENT GMBH (DE) 2023-08-10 US disclosed
US-20230255106-A1 ORGANIC ELECTROLUMINESCENT APPARATUS MERCK PATENT GMBH (DE) 2023-08-10 US disclosed