SCHEMBL16169761

SCHEMBL16169761

Cc1ccc(N(c2ccccc2)c2ccc3c(c2)C(C)(C)c2nc4c(nc2-3)C(C)(C)c2cc(-c3ccc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)c5ccccc35)ccc2-4)cc1

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.32
▸ KDM4E B2RXH2 6/20 0.32
▸ MEN1 O00255 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ ADORA2A P29274 2/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ CRHR1 P34998 1/20 0.32
▸ HPGD P15428 5/20 0.32
▸ MAPT P10636 4/20 0.32
▸ TDP1 Q9NUW8 3/20 0.32
▸ L3MBTL1 Q9Y468 2/20 0.32
▸ NPSR1 Q6W5P4 2/20 0.31
▸ PPARG P37231 1/20 0.31
▸ NCOA2 Q15596 1/20 0.31
▸ NCOA1 Q15788 1/20 0.31
▸ NCOA3 Q9Y6Q9 1/20 0.31
▸ ADORA1 P30542 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ COMT P21964 1/20 0.31

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
SCHEMBL16169788 0.95 MEN1 (0.31) ALDH1A1MEN1KMT2AMAPTTDP1
SCHEMBL16169825 0.93 — —
SCHEMBL16169822 0.92 PDK2 (0.36) ALDH1A1KDM4EMEN1KMT2AADORA2A
SCHEMBL16169821 0.91 — —
SCHEMBL16169797 0.90 KDM4E (0.32) KDM4EADORA2AADORA1
SCHEMBL16169799 0.89 CTRC (0.34) ALDH1A1KDM4EMEN1KMT2AHPGD
SCHEMBL16169791 0.88 RXRA (0.31) —
SCHEMBL16169760 0.88 PDK2 (0.31) —
SCHEMBL16169811 0.87 ADORA1 (0.32) ALDH1A1KDM4EMAPTTDP1L3MBTL1
SCHEMBL16169823 0.87 CTRC (0.35) ALDH1A1KDM4EMEN1KMT2ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9698356-B2 Heteroaryl-based compound and organic light-emitting diode including the same SAMSUNG DISPLAY CO., LTD. (KR) 2017-07-04 — — US disclosed
US-9698356-B2 Heteroaryl-based compound and organic light-emitting diode including the same SAMSUNG DISPLAY CO., LTD. (KR) 2017-07-04 — — US disclosed
US-20140306186-A1 HETEROARYL-BASED COMPOUND AND ORGANIC LIGHT-EMITTING DIODE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2014-10-16 — — US disclosed
US-20140306186-A1 HETEROARYL-BASED COMPOUND AND ORGANIC LIGHT-EMITTING DIODE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2014-10-16 — — US disclosed
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