SCHEMBL9013552

SCHEMBL9013552

CCNc1ccc(Nc2ccc(N)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.54
L3MBTL1 Q9Y468 3/20 0.54
ALDH1A1 P00352 2/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2C9 P11712 1/20 0.54
ALOX12 P18054 1/20 0.54
CYP2C19 P33261 1/20 0.54
HTT P42858 1/20 0.54
NR4A1 P22736 1/20 0.52
RAD52 P43351 1/20 0.50
ADRA2A P08913 6/20 0.47
ADRA2B P18089 2/20 0.47
ADRA2C P18825 2/20 0.47
LMNA P02545 1/20 0.42
APP P05067 2/20 0.42
KDM4E B2RXH2 1/20 0.42
TP53 P04637 1/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42

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
SCHEMBL146408 0.93 ADRA2A (0.52) MAPTL3MBTL1ALDH1A1CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL9161665 0.91 ADRA2A (0.50) MAPTL3MBTL1ALDH1A1CYP1A2CYP3A4
Ammonia Solution, Strong SCHEMBL11136136 0.91 ADRA2A (0.50) MAPTL3MBTL1ALDH1A1CYP1A2CYP3A4
SCHEMBL7011411 0.86 CYP3A4 (0.50) MAPTL3MBTL1ALDH1A1CYP1A2CYP3A4
Oxirane SCHEMBL27491261 0.83 ADRA2A (0.44) MAPTL3MBTL1ALDH1A1CYP1A2CYP3A4
SCHEMBL23266983 0.81 PKM (0.57) MAPTALDH1A1CYP3A4NR4A1ADRA2A
SCHEMBL825873 0.81 ADRA2A (0.43) MAPTL3MBTL1ALDH1A1CYP1A2CYP3A4
SCHEMBL12387898 0.81 APP (0.56) MAPTADRA2AADRA2BADRA2CLMNA
Acetamide SCHEMBL10826207 0.81 ADRA2A (0.52) MAPTL3MBTL1ALDH1A1CYP1A2CYP3A4
SCHEMBL526383 0.80 MAPT (0.58) MAPTL3MBTL1ALDH1A1CYP3A4ALOX12

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-0556741-B1 Novel trisazo dye and dye composition containing the same ORIENT CHEMICAL IND (JP) 1996-12-04 EP disclosed
US-5340929-A Inks, discoloration inhibition ORIENT CHEMICAL INDUSTRIES, LTD. (JP) 1994-08-23 US disclosed
EP-0556741-A1 Novel trisazo dye and dye composition containing the same ORIENT CHEMICAL INDUSTRIES, LTD. (JP) 1993-08-25 EP disclosed