SCHEMBL9013602

SCHEMBL9013602

Cc1ccc(Nc2ccc(Nc3ccc(N)cc3)cc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.68
MAPT P10636 8/20 0.61
ALDH1A1 P00352 4/20 0.61
L3MBTL1 Q9Y468 4/20 0.61
HPGD P15428 2/20 0.61
CYP1A2 P05177 1/20 0.61
CYP3A4 P08684 1/20 0.61
CYP2C9 P11712 1/20 0.61
ALOX12 P18054 1/20 0.61
CYP2C19 P33261 1/20 0.61
HTT P42858 1/20 0.61
NR4A1 P22736 1/20 0.58
RAD52 P43351 1/20 0.56
GAA P10253 5/20 0.54
TDP1 Q9NUW8 3/20 0.54
TEAD4 Q15561 1/20 0.52
POLB P06746 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
G6PD P11413 1/20 0.50

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
SCHEMBL15831 1.00 ACHE (0.68) ACHEMAPTALDH1A1L3MBTL1HPGD
SCHEMBL5884382 0.93 ACHE (0.59) ACHEMAPTALDH1A1L3MBTL1HPGD
SCHEMBL19987393 0.87 ALDH1A1 (0.56) ACHEMAPTALDH1A1L3MBTL1HPGD
SCHEMBL29479572 0.86 MAPT (0.78) ACHEMAPTALDH1A1L3MBTL1HPGD
SCHEMBL18289620 0.86 MAPT (0.78) ACHEMAPTALDH1A1L3MBTL1HPGD
SCHEMBL5438258 0.86 MAPT (0.78) ACHEMAPTALDH1A1L3MBTL1HPGD
SCHEMBL12747008 0.86 MAPT (0.78) ACHEMAPTALDH1A1L3MBTL1HPGD
SCHEMBL33864 0.86 MAPT (0.78) ACHEMAPTALDH1A1L3MBTL1HPGD
SCHEMBL5428343 0.86 MAPT (0.78) ACHEMAPTALDH1A1L3MBTL1HPGD
SCHEMBL50079 0.86 HPGD (0.78) ACHEMAPTALDH1A1L3MBTL1HPGD

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