SCHEMBL20172266

SCHEMBL20172266

Nc1ccc(N(c2cccc(-c3ccccc3)c2)c2ccc3ccccc3c2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.56
CYP3A4 P08684 4/20 0.56
TDP1 Q9NUW8 3/20 0.56
MAPT P10636 3/20 0.56
KDM4E B2RXH2 2/20 0.56
CYP1A2 P05177 1/20 0.56
CYP2D6 P10635 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
HSD17B10 Q99714 3/20 0.44
MAOA P21397 1/20 0.43
TAAR1 Q96RJ0 2/20 0.42
ALOX15 P16050 1/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
HBB P68871 1/20 0.39
HIF1A Q16665 1/20 0.39
BACE1 P56817 1/20 0.38
HSD17B1 P14061 1/20 0.38

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
Aniline SCHEMBL2916910 0.90 ALDH1A1 (0.55) ALDH1A1CYP3A4TDP1MAPTKDM4E
Aniline SCHEMBL12004491 0.90 ALDH1A1 (0.55) ALDH1A1CYP3A4TDP1MAPTKDM4E
SCHEMBL24910246 0.90 HSD17B1 (0.46) ALDH1A1CYP3A4TDP1MAPTKDM4E
SCHEMBL16158364 0.90 HSD17B1 (0.46) ALDH1A1CYP3A4TDP1MAPTKDM4E
SCHEMBL17740636 0.90 HSD17B1 (0.46) ALDH1A1CYP3A4TDP1MAPTKDM4E
SCHEMBL16158376 0.90 HSD17B1 (0.46) ALDH1A1CYP3A4TDP1MAPTKDM4E
SCHEMBL16158267 0.90 HSD17B1 (0.46) ALDH1A1CYP3A4TDP1MAPTKDM4E
SCHEMBL16158250 0.90 HSD17B1 (0.46) ALDH1A1CYP3A4TDP1MAPTKDM4E
SCHEMBL16158234 0.90 HSD17B1 (0.46) ALDH1A1CYP3A4TDP1MAPTKDM4E
SCHEMBL16158395 0.90 HSD17B1 (0.46) ALDH1A1CYP3A4TDP1MAPTKDM4E

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
EP-3339395-B1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG ELECTRONICS CO LTD (KR) 2019-10-02 EP disclosed
EP-3339395-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME Samsung Electronics Co., Ltd. (KR) 2018-06-27 EP disclosed
EP-2980182-B1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG ELECTRONICS CO LTD (KR) 2018-05-23 EP disclosed