SCHEMBL18633410

SCHEMBL18633410

N#Cc1ccc2c(c1)c1cc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)ccc1n2-c1ccc2ccccc2c1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 2/20 0.40
▸ CA2 P00918 2/20 0.40
▸ PTGER4 P35408 1/20 0.39
▸ PIK3CD O00329 2/20 0.38
▸ PIK3CA P42336 2/20 0.38
▸ ENPP3 O14638 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ ATM Q13315 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ PDPK1 O15530 1/20 0.36
▸ PGR P06401 2/20 0.36
▸ CYP17A1 P05093 1/20 0.36
▸ CYP11B1 P15538 1/20 0.36
▸ CYP11B2 P19099 1/20 0.36
▸ HRH3 Q9Y5N1 1/20 0.35
▸ PDE9A O76083 1/20 0.34
▸ MTOR P42345 1/20 0.34
▸ TDP2 O95551 2/20 0.34
▸ USP14 P54578 2/20 0.33

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
SCHEMBL18623566 1.00 CA1 (0.40) CA1CA2PTGER4PIK3CDPIK3CA
SCHEMBL18516636 0.98 KDM4E (0.42) CA1CA2PTGER4PIK3CDPIK3CA
SCHEMBL18623565 0.96 CA1 (0.40) CA1CA2PTGER4PIK3CDPIK3CA
SCHEMBL18633411 0.96 CA1 (0.40) CA1CA2PTGER4PIK3CDPIK3CA
SCHEMBL18804978 0.96 CA1 (0.40) CA1CA2PTGER4PIK3CDPIK3CA
SCHEMBL19500778 0.96 PTGER4 (0.39) CA1CA2PTGER4PIK3CDPIK3CA
SCHEMBL19510165 0.93 PDPK1 (0.40) CA1CA2PTGER4PIK3CDPIK3CA
SCHEMBL19500791 0.93 PDPK1 (0.40) CA1CA2PTGER4PIK3CDPIK3CA
SCHEMBL18516633 0.93 KDM4E (0.44) CA1CA2PTGER4PIK3CDPIK3CA
SCHEMBL21531870 0.90 IRAK4 (0.41) CA1CA2PTGER4ENPP3KDM4E

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-20210210697-A1 MULTI-COMPONENT HOST MATERIAL AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME DUPONT SPECIALTY MATERIALS KOREA LTD. (KR) 2021-07-08 — — US disclosed
US-20170207396-A1 ORGANIC ELECTROLUMINESCENT DEVICE ROHM & HAAS ELECT MATERIALS KOREA LTD (KR) 2017-07-20 — — US disclosed
US-20170077423-A1 MULTI-COMPONENT HOST MATERIAL AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME ROHM & HAAS ELECT MATERIALS KOREA LTD (KR) 2017-03-16 — — US disclosed
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