SCHEMBL23626707

SCHEMBL23626707

c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-n4c5ccc(-c6cccnc6)cc5c5cc(-c6cccnc6)ccc54)cc(-n4c5ccccc5c5c6c(c7ccccc7n6-c6ccccc6)c6c(c7ccccc7n6-c6ccccc6)c54)c3)n2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP11B1 P15538 2/20 0.37
▸ CYP11B2 P19099 2/20 0.37
▸ CYP17A1 P05093 1/20 0.37
▸ CYP19A1 P11511 1/20 0.37
▸ ALDH1A1 P00352 4/20 0.36
▸ MEN1 O00255 3/20 0.36
▸ CYP1A2 P05177 3/20 0.36
▸ CYP3A4 P08684 3/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ CLK4 Q9HAZ1 3/20 0.36
▸ CYP2D6 P10635 2/20 0.36
▸ CYP2C9 P11712 2/20 0.36
▸ TSHR P16473 2/20 0.36
▸ GLA P06280 1/20 0.36
▸ MAPT P10636 3/20 0.35
▸ ATM Q13315 2/20 0.35
▸ GRM5 P41594 1/20 0.34
▸ L3MBTL1 Q9Y468 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ HSD17B10 Q99714 2/20 0.34

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
SCHEMBL23626655 0.90 L3MBTL1 (0.40) ALDH1A1MEN1KMT2AMAPTATM
SCHEMBL30107846 0.90 CYP11B1 (0.43) CYP11B1CYP11B2CYP17A1CYP19A1ALDH1A1
SCHEMBL30107747 0.89 CYP11B1 (0.46) CYP11B1CYP11B2CYP17A1CYP19A1ALDH1A1
SCHEMBL23627167 0.87 KDM4E (0.42) KMT2AATML3MBTL1KDM4E
SCHEMBL23790681 0.87 CYP11B2 (0.42) CYP11B1CYP11B2CYP17A1CYP19A1ALDH1A1
SCHEMBL23626706 0.86 KDM4E (0.36) ALDH1A1KMT2ATSHRMAPTATM
SCHEMBL19486743 0.86 KDM4E (0.41) CYP11B1CYP11B2CYP17A1CYP19A1ALDH1A1
SCHEMBL23626711 0.86 L3MBTL1 (0.43) ALDH1A1MEN1KMT2AMAPTATM
SCHEMBL17483327 0.85 CYP1A2 (0.44) CYP11B1CYP11B2CYP17A1CYP19A1ALDH1A1
SCHEMBL17483316 0.85 CYP1A2 (0.44) CYP11B1CYP11B2CYP17A1CYP19A1ALDH1A1

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
US-20210210696-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND NITROGEN-CONTAINING COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2021-07-08 — — US disclosed
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