SCHEMBL14878792

SCHEMBL14878792

CCCC(C)C(c1ccc(N)cc1)c1ccc(N)c(C(c2ccc(N)cc2)C(C)CCC)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.34
ALDH1A1 P00352 3/20 0.31
GAA P10253 2/20 0.31
USP2 O75604 1/20 0.31
PKM P14618 1/20 0.31
HPGD P15428 1/20 0.31
ALOX15 P16050 1/20 0.31
HSD17B10 Q99714 1/20 0.31
ALOX12 P18054 1/20 0.31
HTT P42858 1/20 0.31
HIF1A Q16665 1/20 0.31
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
TSHR P16473 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL13014615 0.89 CYP19A1 (0.32) CYP19A1ALDH1A1GAAUSP2PKM
SCHEMBL14878827 0.88 ALDH1A1 (0.36) ALDH1A1GAAUSP2PKMHPGD
SCHEMBL13523886 0.85 CYP19A1 (0.38) CYP19A1ALDH1A1GAAUSP2PKM
SCHEMBL13013693 0.82 ALOX15 (0.34) ALDH1A1GAAUSP2PKMHPGD
SCHEMBL13014599 0.77 ALDH1A1 (0.36) ALDH1A1GAAUSP2PKMHPGD
SCHEMBL14878826 0.76 ALDH1A1 (0.33) ALDH1A1GAAUSP2PKMHPGD
SCHEMBL14878835 0.75 ERAP2 (0.30)
SCHEMBL6852431 0.74 GAA (0.34) CYP19A1ALDH1A1GAAUSP2HPGD
SCHEMBL13014888 0.72 KDM4E (0.38) ALDH1A1GAAUSP2PKMHPGD
SCHEMBL14878793 0.71 CYP19A1 (0.38) CYP19A1MAPTTSHRTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2584008-B1 Trisazo acid dyes based on naphtholes CLARIANT INT LTD (CH) 2014-06-04 EP disclosed
EP-2584007-B1 Trisazo acid dyes based on pyridones CLARIANT INT LTD (CH) 2014-06-04 EP disclosed
WO-2013056837-A1 TRISAZO ACID DYES BASED ON NAPHTHOLES CLARIANT INTERNATIONAL LTD (CH) 2013-04-25 WO disclosed
WO-2013056839-A1 TRISAZO ACID DYES BASED ON PYRIDONES CLARIANT INTERNATIONAL LTD (CH) 2013-04-25 WO disclosed
EP-2584007-A1 Trisazo acid dyes based on pyridones Clariant International Ltd. (CH) 2013-04-24 EP disclosed
EP-2584008-A1 Trisazo acid dyes based on naphtholes CLARIANT INTERNATIONAL LTD (CH) 2013-04-24 EP disclosed