SCHEMBL8817328

SCHEMBL8817328

CC1(C)c2ccccc2-c2cc3c(cc21)c1ccc(-c2ccc4c5ccc(-c6ccccc6)cc5n(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4c2)cc1n3-c1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ AVPR1A P37288 1/20 0.34
▸ MEN1 O00255 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ PGR P06401 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
SCHEMBL18505531 0.96 MEN1 (0.33) MEN1ALDH1A1MAPTHPGDKMT2A
SCHEMBL8815488 0.92 KDM4E (0.35) ALDH1A1
SCHEMBL12952493 0.92 KDM4E (0.35) ALDH1A1
SCHEMBL25966007 0.92 ATM (0.34) MEN1ALDH1A1MAPTHPGDKMT2A
SCHEMBL18505530 0.92 PDE10A (0.32) AVPR1AMEN1ALDH1A1MAPTHPGD
SCHEMBL18505379 0.92 MEN1 (0.33) MEN1ALDH1A1MAPTHPGDKMT2A
SCHEMBL17246706 0.91 PTGER4 (0.35) —
SCHEMBL2603572 0.91 KDM4E (0.38) MEN1KMT2APGR
SCHEMBL25517449 0.91 ATM (0.35) MEN1ALDH1A1MAPTHPGDKMT2A
SCHEMBL25517442 0.91 ATM (0.35) MEN1ALDH1A1MAPTHPGDKMT2A

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-20140077179-A1 NOVEL COMPOUND FOR ORGANIC ELECTRONIC MATERIAL AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2014-03-20 — — US disclosed
US-20140077179-A1 NOVEL COMPOUND FOR ORGANIC ELECTRONIC MATERIAL AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2014-03-20 — — US disclosed
WO-2012067425-A1 NOVEL COMPOUND FOR ORGANIC ELECTRONIC MATERIAL AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2012-05-24 — — WO disclosed
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