SCHEMBL27701508

SCHEMBL27701508

COc1cc(C#Cc2ccc(N)cc2)ccc1N

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 4/20 0.60
TLR9 Q9NR96 2/20 0.54
ALDH1A1 P00352 5/20 0.53
TDP1 Q9NUW8 3/20 0.53
CYP3A4 P08684 2/20 0.53
TSHR P16473 2/20 0.53
HSD17B10 Q99714 1/20 0.53
MAPT P10636 2/20 0.47
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
HTT P42858 2/20 0.44
ADRA2B P18089 1/20 0.42
PTGS1 P23219 1/20 0.42
KDM4E B2RXH2 1/20 0.42
USP2 O75604 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
CYP19A1 P11511 2/20 0.41
MAPK1 P28482 2/20 0.40

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
SCHEMBL17443439 0.83 APP (0.58) APPTLR9ALDH1A1TDP1TSHR
SCHEMBL22146862 0.82 ALDH1A1 (0.55) APPTLR9ALDH1A1TDP1CYP3A4
SCHEMBL28034743 0.81 APP (0.60) APPTLR9ALDH1A1TDP1CYP3A4
SCHEMBL29559790 0.80 ALDH1A1 (0.57) APPALDH1A1TDP1CYP3A4TSHR
SCHEMBL220780 0.80 ALDH1A1 (0.57) APPALDH1A1TDP1CYP3A4TSHR
SCHEMBL27701523 0.79 APP (0.58) APPTLR9ALDH1A1TDP1TSHR
SCHEMBL29375147 0.79 ALDH1A1 (0.67) APPALDH1A1TDP1CYP3A4TSHR
SCHEMBL64099 0.79 ALDH1A1 (0.67) APPALDH1A1TDP1CYP3A4TSHR
SCHEMBL22146796 0.79 ALDH1A1 (0.47) APPALDH1A1TDP1CYP3A4TSHR
SCHEMBL17729353 0.78 ALDH1A1 (0.55) APPALDH1A1TDP1CYP3A4TSHR

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
CN-101057177-B Liquid-crystal alignment material and liquid-crystal display element employing the same NISSAN CHEMICAL IND LTD 2010-06-02 CN claimed
CN-101057177-A Liquid-crystal alignment material and liquid-crystal display element employing the same NISSAN CHEMICAL IND LTD (JP) 2007-10-17 CN claimed
CN-101057177-B Liquid-crystal alignment material and liquid-crystal display element employing the same NISSAN CHEMICAL IND LTD 2010-06-02 CN disclosed
CN-101057177-A Liquid-crystal alignment material and liquid-crystal display element employing the same NISSAN CHEMICAL IND LTD (JP) 2007-10-17 CN disclosed