SCHEMBL16788696

SCHEMBL16788696

c1cncc(-n2c3ccc(-c4cc5ccc6cccc7ccc(c4)c5c67)c4ccc5c(-c6cc7ccc8cccc9ccc(c6)c7c89)ccc2c5c43)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ CYP1A2 P05177 4/20 0.39
▸ METAP2 P50579 3/20 0.39
▸ GFER P55789 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ CYP11B2 P19099 4/20 0.37
▸ CYP11B1 P15538 4/20 0.37
▸ GRM1 Q13255 1/20 0.36
▸ MAT2A P31153 3/20 0.36
▸ PRMT5 O14744 2/20 0.36
▸ CYP17A1 P05093 1/20 0.35
▸ CYP19A1 P11511 1/20 0.35
▸ ALOX12 P18054 1/20 0.34
▸ CYP1A1 P04798 1/20 0.34
▸ CYP1B1 Q16678 1/20 0.34
▸ CYP3A4 P08684 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
SCHEMBL16788685 0.91 GAA (0.41) GAAMAPTMAPK1HTTHSD17B10
SCHEMBL16788694 0.85 CYP1A2 (0.40) HSD17B10CYP1A2CYP1A1CYP1B1CYP3A4
SCHEMBL16788701 0.84 CYP1A2 (0.40) MAPK1HSD17B10CYP1A2MAT2ACYP1A1
SCHEMBL16788657 0.81 GAA (0.44) GAAMAPTMAPK1HTTHSD17B10
SCHEMBL15976944 0.81 GFER (0.38) GAAMAPTMAPK1HTTHSD17B10
SCHEMBL18744396 0.80 ALDH1A1 (0.36) MAPTCYP1A2MAPK14
SCHEMBL18744384 0.80 CYP11B1 (0.40) GAAMAPTMAPK1HTTHSD17B10
SCHEMBL16788695 0.80 ERBB2 (0.36) CYP1A2
SCHEMBL16788692 0.79 CYP1A2 (0.38) MAPK1HSD17B10CYP1A2CYP11B2CYP11B1
SCHEMBL16788682 0.78 ERBB2 (0.37) CYP1A2CYP19A1

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-9553271-B2 Compound and organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2017-01-24 — — US disclosed
US-9553271-B2 Compound and organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2017-01-24 — — US disclosed
US-20150162540-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2015-06-11 — — US disclosed
US-20150162540-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2015-06-11 — — US disclosed
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