SCHEMBL16489394

SCHEMBL16489394

CC(C)(C)c1c2ccccc2c(-c2ccc3ccccc3c2)c2ccc(N)cc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.43
▸ CYP3A4 P08684 3/20 0.43
▸ HSD17B10 Q99714 3/20 0.43
▸ IKBKB O14920 1/20 0.40
▸ HBB P68871 2/20 0.39
▸ TDP1 Q9NUW8 2/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ CASP1 P29466 1/20 0.39
▸ CASP7 P55210 1/20 0.39
▸ HIF1A Q16665 1/20 0.39
▸ CYP1A2 P05177 2/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ HSD17B1 P14061 1/20 0.36
▸ CYP2B6 P20813 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ HSD17B2 P37059 1/20 0.36
▸ SRC P12931 4/20 0.35
▸ ABL1 P00519 2/20 0.35
▸ ACHE P22303 1/20 0.35

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
SCHEMBL16489393 0.83 CYP2A6 (0.43) IKBKBCYP1A2HSD17B1HSD17B2CYP1A1
SCHEMBL16489401 0.82 KMT2A (0.39) ALDH1A1CYP3A4HSD17B10HBBTDP1
SCHEMBL16489391 0.79 DHFR (0.41) ALDH1A1CYP3A4HSD17B10ALOX15CASP1
SCHEMBL20080655 0.78 ALDH1A1 (0.54) ALDH1A1CYP3A4HSD17B10IKBKBHBB
SCHEMBL20900597 0.77 ALDH1A1 (0.45) ALDH1A1HSD17B10TDP1HIF1ACYP1A2
SCHEMBL16489385 0.77 PDE9A (0.39) ALDH1A1KDM4EMAPTNPC1RAB9A
SCHEMBL20877893 0.77 PPARG (0.39) CYP3A4CYP1A2CYP2D6CYP2C9HSD17B1
SCHEMBL24255214 0.77 ALDH1A1 (0.56) ALDH1A1CYP3A4HSD17B10IKBKBHBB
SCHEMBL16489395 0.76 UTRN (0.47) ALDH1A1HSD17B10HIF1ACYP1A2HSD17B1
SCHEMBL16489402 0.76 PDK2 (0.38) ACHEKDM4EMAPTSMN1; SMN2MEN1

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-10256412-B2 Anthracene-based compound and organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2019-04-09 — — US disclosed
US-20150048321-A1 ANTHRACENE-BASED COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2015-02-19 — — US disclosed
US-20150048321-A1 ANTHRACENE-BASED COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2015-02-19 — — US disclosed
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