SCHEMBL21474112

SCHEMBL21474112

CCN(c1ccc(N)cc1)c1ccc(N(C)c2ccc(N(C)c3ccc(OC)cc3)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 5/20 0.53
MAPK1 P28482 3/20 0.53
ALDH1A1 P00352 4/20 0.52
CYP3A4 P08684 3/20 0.52
APP P05067 2/20 0.44
NR4A1 P22736 1/20 0.44
TSHR P16473 2/20 0.44
PSMD14 O00487 1/20 0.44
RECQL P46063 1/20 0.44
GFER P55789 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
TUBB3 Q13509 4/20 0.41
TUBB4A P04350 3/20 0.41
TUBB P07437 3/20 0.41
TUBA3C P0DPH7 3/20 0.41
TUBA1B P68363 3/20 0.41
TUBA4A P68366 3/20 0.41
TUBB4B P68371 3/20 0.41
TUBB2A Q13885 3/20 0.41
TUBB8 Q3ZCM7 3/20 0.41

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
SCHEMBL177808 0.88 TDP1 (0.70) TDP1MAPK1ALDH1A1CYP3A4APP
SCHEMBL24247974 0.84 CA1 (0.52) TDP1MAPK1ALDH1A1CYP3A4APP
SCHEMBL17817841 0.78 TDP1 (0.73) TDP1MAPK1ALDH1A1CYP3A4APP
SCHEMBL17032630 0.78 TDP1 (0.73) TDP1MAPK1ALDH1A1CYP3A4APP
SCHEMBL6538839 0.78 TDP1 (0.73) TDP1MAPK1ALDH1A1CYP3A4APP
SCHEMBL15746103 0.78 TDP1 (0.73) TDP1MAPK1ALDH1A1CYP3A4APP
SCHEMBL114319 0.78 CA1 (0.61) TDP1MAPK1ALDH1A1APPTUBB3
SCHEMBL14378992 0.77 ACHE (0.60) ALDH1A1TUBB3TUBB4ATUBBTUBA3C
SCHEMBL11747016 0.77 MTNR1A (0.54) TSHRTUBB3TUBB4ATUBBTUBA3C
Hydrochloric Acid SCHEMBL29089898 0.75 CA1 (0.58) TDP1MAPK1ALDH1A1CYP3A4APP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019198671-A1 LIQUID-CRYSTAL ALIGNMENT AGENT, LIQUID-CRYSTAL ALIGNMENT FILM, AND LIQUID-CRYSTAL DISPLAY ELEMENT INCLUDING SAME 日産化学株式会社 2019-10-17 WO disclosed