SCHEMBL25010835

SCHEMBL25010835

c1ccc(-c2cccc(-c3nc(-c4ccc5c(c4)oc4ccccc45)nc(-n4c5ccccc5c5c4ccc4c6ccccc6n(-c6cccc(-c7ccccc7)c6)c45)n3)c2)cc1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 1/20 0.32
MMP13 P45452 1/20 0.32
PLA2G2A P14555 1/20 0.31
PLA2G4A P47712 1/20 0.31
HCRTR1 O43613 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
ATM Q13315 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
SCHEMBL20315831 0.98 MMP12 (0.32) MMP12MMP13HCRTR1NPC1RAB9A
SCHEMBL26473051 0.97 HCRTR1 (0.31) MMP12MMP13HCRTR1
SCHEMBL25965873 0.95 KDM4E (0.35) ATM
SCHEMBL25965894 0.95 KDM4E (0.35) ATM
SCHEMBL23602177 0.95 MMP12 (0.32) MMP12MMP13HCRTR1NPC1RAB9A
SCHEMBL26472920 0.94 PLA2G2A (0.33) PLA2G2APLA2G4A
SCHEMBL20315870 0.94 MMP12 (0.32) MMP12MMP13HCRTR1NPC1RAB9A
SCHEMBL25965266 0.94 KDM4E (0.33) ATM
SCHEMBL24163288 0.94 PLA2G2A (0.32) PLA2G2APLA2G4AATM
SCHEMBL26472825 0.94 PLA2G2A (0.32) PLA2G2APLA2G4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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