SCHEMBL25009941

SCHEMBL25009941

c1ccc(-n2c3ccccc3c3ccc4c5ccccc5n(-c5nc(-c6ccc7c(c6)oc6ccccc67)nc(-c6cccc7c6oc6ccccc67)n5)c4c32)cc1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.38
PRKDC P78527 5/20 0.38
PIK3CD O00329 1/20 0.33
PIK3CB P42338 1/20 0.33
ATM Q13315 2/20 0.33
KDM4E B2RXH2 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
GGPS1 O95749 1/20 0.32
PTGER4 P35408 1/20 0.31
ALDH1A1 P00352 1/20 0.30
PPARG P37231 1/20 0.30
RXFP1 Q9HBX9 1/20 0.30
NR2E3 Q9Y5X4 1/20 0.30
NCOR2 Q9Y618 1/20 0.30
SIRT2 Q8IXJ6 1/20 0.30
SIRT1 Q96EB6 1/20 0.30
MAPT P10636 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
SCHEMBL23947886 0.95 ALOX5 (0.40) ALOX5PRKDCPIK3CDPIK3CBATM
SCHEMBL25009386 0.94 PRKDC (0.36) ALOX5PRKDCPIK3CDPIK3CBGGPS1
SCHEMBL24802385 0.94 PRKDC (0.36) ALOX5PRKDCPIK3CDPIK3CBATM
SCHEMBL22049210 0.93 ALOX5 (0.36) ALOX5PRKDCPIK3CDPIK3CBATM
SCHEMBL23601884 0.93 PRKDC (0.34) ALOX5PRKDCATMKDM4EL3MBTL1
SCHEMBL24696284 0.93 ALOX5 (0.35) ALOX5PRKDCPIK3CDPIK3CBATM
SCHEMBL19769769 0.93 ALOX5 (0.37) ALOX5PRKDCPIK3CDPIK3CBATM
SCHEMBL18593788 0.93 ALOX5 (0.36) ALOX5PRKDCPIK3CDPIK3CBATM
SCHEMBL23947549 0.92 ALOX5 (0.38) ALOX5PRKDCPIK3CDPIK3CBATM
SCHEMBL23947520 0.92 ALOX5 (0.41) ALOX5PRKDCPIK3CDPIK3CBATM

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 5 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
US-20230139757-A1 ORGANIC ELECTROLUMINESCENT DEVICE NIPPON STEEL CHEMICAL & MATERIAL CO., LTD. (JP) 2023-05-04 US disclosed
US-20230139757-A1 ORGANIC ELECTROLUMINESCENT DEVICE NIPPON STEEL CHEMICAL & MATERIAL CO., LTD. (JP) 2023-05-04 US disclosed
EP-4130191-A1 ORGANIC ELECTROLUMINESCENT DEVICE NIPPON STEEL Chemical & Material Co., Ltd. (JP) 2023-02-08 EP disclosed