SCHEMBL689624

SCHEMBL689624

CCCCC(CC)C(c1ccc(N)cc1)c1ccc(N)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.37
TSHR P16473 3/20 0.34
CYP3A4 P08684 2/20 0.34
LMNA P02545 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
PDE4D Q08499 1/20 0.34
ALDH1A1 P00352 4/20 0.33
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
TDP1 Q9NUW8 4/20 0.32
SLC2A1 P11166 2/20 0.32
PSMD14 O00487 1/20 0.31
MAPK1 P28482 1/20 0.31
RECQL P46063 1/20 0.31
GFER P55789 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
NR1I2 O75469 1/20 0.31

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
SCHEMBL14878835 0.87 ERAP2 (0.30) CA2
SCHEMBL690546 0.84 MAPT (0.38) MAPTTSHRCYP3A4LMNACYP1A2
SCHEMBL12984614 0.82 AOC3 (0.37) MAPTTSHRCYP3A4LMNACYP1A2
SCHEMBL395463 0.81 ESR1 (0.48) MAPTTSHRCYP3A4LMNACYP1A2
SCHEMBL8086502 0.81 ALDH1A1 (0.49) MAPTLMNAALDH1A1KDM4EMAPK1
SCHEMBL19652448 0.79 PBRM1 (0.46) MAPTTSHRCYP1A2CYP2C19ALDH1A1
SCHEMBL12982553 0.79 ALDH1A1 (0.42) MAPTTSHRCYP3A4LMNACYP1A2
SCHEMBL2164780 0.78 KDM4E (0.33) ALDH1A1KDM4EBDKRB2
SCHEMBL11106441 0.77 CNR2 (0.46) TSHRCYP3A4ALDH1A1KDM4ETDP1
SCHEMBL2167383 0.77 SLC2A1 (0.33) MAPTTSHRCYP3A4LMNACYP1A2

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2307508-B1 ACID DYES ARCHROMA IP GMBH (CH) 2018-09-05 EP disclosed
EP-2049599-B1 BASIC BISAZO COMPOUNDS ARCHROMA IP GMBH (CH) 2017-02-22 EP disclosed
US-8921564-B2 Basic bisazo compounds CLARIANT FINANCE (BVI) LTD. (VG) 2014-12-30 US disclosed
US-8921564-B2 Basic bisazo compounds CLARIANT FINANCE (BVI) LTD. (VG) 2014-12-30 US disclosed
EP-2430099-B1 ORGANIC COMPOUNDS CLARIANT FINANCE BVI LTD (VG) 2013-07-31 EP disclosed
EP-2251387-B1 Acidic azo dyes CLARIANT INT LTD (CH) 2012-02-29 EP disclosed
EP-2307510-B1 ACID DYES CLARIANT FINANCE BVI LTD (VG) 2012-02-29 EP disclosed
EP-2307510-A1 ACID DYES Clariant Finance (BVI) Limited (VG) 2011-04-13 EP disclosed
EP-2307508-A2 ACID DYES Clariant Finance (BVI) Limited (VG) 2011-04-13 EP disclosed
WO-2010130386-A1 ACIDIC AZO DYES CLARIANT INTERNATIONAL LTD (CH) 2010-11-18 WO disclosed
EP-2251387-A1 Acidic azo dyes Clariant International Ltd. (CH) 2010-11-17 EP disclosed
EP-2251384-A1 Pyrazolone monoazo dyes Clariant International Ltd. (CH) 2010-11-17 EP disclosed
EP-2251384-A1 Pyrazolone monoazo dyes Clariant International Ltd. (CH) 2010-11-17 EP disclosed
EP-2251383-A1 Organic compounds Clariant International Ltd. (CH) 2010-11-17 EP disclosed
WO-2010010032-A2 ACID DYES GEIGER ULRICH (DE) 2010-01-28 WO disclosed
US-20100000033-A1 Basic Bisazo Compounds CLARIANT FINANCE (BVI) LIMITED (VG) 2010-01-07 US disclosed
US-20100000033-A1 Basic Bisazo Compounds CLARIANT FINANCE (BVI) LIMITED (VG) 2010-01-07 US disclosed
WO-2010000780-A1 ACID DYES CLARIANT INTERNATIONAL LTD (CH) 2010-01-07 WO disclosed
EP-2078737-A1 Basic monoazo compounds Clariant International Ltd. (CH) 2009-07-15 EP disclosed
WO-2008012322-A1 BASIC BISAZO COMPOUNDS CLARIANT INTERNATIONAL LTD (CH) 2008-01-31 WO disclosed