SCHEMBL20172265

SCHEMBL20172265

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

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.69
MAPT P10636 5/20 0.69
CYP3A4 P08684 4/20 0.69
TDP1 Q9NUW8 4/20 0.69
KDM4E B2RXH2 4/20 0.69
L3MBTL1 Q9Y468 3/20 0.69
CYP1A2 P05177 1/20 0.69
CYP2D6 P10635 1/20 0.69
CYP2C9 P11712 1/20 0.69
CYP2C19 P33261 1/20 0.69
HSD17B10 Q99714 3/20 0.52
TAAR1 Q96RJ0 2/20 0.52
MAOA P21397 1/20 0.52
MEN1 O00255 5/20 0.39
KMT2A Q03164 5/20 0.39
HPGD P15428 4/20 0.39
GLA P06280 2/20 0.39
ALOX15 P16050 2/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39

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
SCHEMBL17489953 1.00 ALDH1A1 (0.69) ALDH1A1MAPTCYP3A4TDP1KDM4E
SCHEMBL19139519 0.98 ALDH1A1 (0.67) ALDH1A1MAPTCYP3A4TDP1KDM4E
SCHEMBL12462563 0.98 ALDH1A1 (0.67) ALDH1A1MAPTCYP3A4TDP1KDM4E
SCHEMBL22506945 0.96 ALDH1A1 (0.63) ALDH1A1MAPTCYP3A4TDP1KDM4E
SCHEMBL20172266 0.90 ALDH1A1 (0.56) ALDH1A1MAPTCYP3A4TDP1KDM4E
SCHEMBL13720844 0.90 ALDH1A1 (0.50) ALDH1A1MAPTCYP3A4TDP1KDM4E
SCHEMBL13136841 0.90 ALDH1A1 (0.50) ALDH1A1MAPTCYP3A4TDP1KDM4E
SCHEMBL13721096 0.90 ALDH1A1 (0.50) ALDH1A1MAPTCYP3A4TDP1KDM4E
SCHEMBL15022724 0.90 ALDH1A1 (0.50) ALDH1A1MAPTCYP3A4TDP1KDM4E
SCHEMBL13136835 0.90 ALDH1A1 (0.50) ALDH1A1MAPTCYP3A4TDP1KDM4E

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