SCHEMBL17206568

SCHEMBL17206568

CC1(C)c2ccccc2N(c2cc(-c3ccccc3)nc(-c3ccccc3)n2)c2ccc(-c3ccc4ccccc4c3)cc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 6/20 0.40
▸ CYP1A1 P04798 1/20 0.39
▸ CYP1B1 Q16678 1/20 0.39
▸ MAPT P10636 7/20 0.38
▸ HSD17B10 Q99714 2/20 0.38
▸ MAPK1 P28482 2/20 0.38
▸ NPSR1 Q6W5P4 2/20 0.38
▸ TSHR P16473 1/20 0.38
▸ CTRC Q99895 1/20 0.37
▸ MEN1 O00255 8/20 0.36
▸ KMT2A Q03164 8/20 0.36
▸ ALDH1A1 P00352 7/20 0.36
▸ NTSR1 P30989 1/20 0.36
▸ KDM4E B2RXH2 5/20 0.36
▸ TP53 P04637 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ ADORA2A P29274 1/20 0.34
▸ ADORA1 P30542 1/20 0.34
▸ TDP1 Q9NUW8 1/20 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
SCHEMBL17206564 0.89 CYP1A1 (0.39) HPGDCYP1A1CYP1B1MAPTNPSR1
SCHEMBL17206578 0.88 HPGD (0.41) HPGDMAPTHSD17B10MAPK1NPSR1
SCHEMBL22309913 0.83 HPGD (0.40) HPGDMAPTHSD17B10MAPK1NPSR1
SCHEMBL15084754 0.83 CYP1A1 (0.34) CYP1A1CYP1B1MAPTCTRCMEN1
SCHEMBL13231701 0.83 HTT (0.42) HPGDMAPTHSD17B10MAPK1NPSR1
SCHEMBL15084852 0.82 KMT2A (0.39) HPGDMAPTTSHRMEN1KMT2A
SCHEMBL17206601 0.81 MAPT (0.41) HPGDCYP1A1CYP1B1MAPTHSD17B10
SCHEMBL13371780 0.80 LPL (0.38) HPGDCYP1A1CYP1B1MAPTMEN1
SCHEMBL13832934 0.79 MEN1 (0.42) HPGDMAPTNPSR1MEN1KMT2A
SCHEMBL17278581 0.78 MEN1 (0.38) HPGDMAPTHSD17B10MAPK1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9172046-B1 Organic light-emitting device SAMSUNG DISPLAY CO., LTD. (KR) 2015-10-27 — — US disclosed
US-9172046-B1 Organic light-emitting device SAMSUNG DISPLAY CO., LTD. (KR) 2015-10-27 — — US disclosed
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