SCHEMBL7529190

SCHEMBL7529190

COC(=O)c1cc(-c2ccc(N)c(C(=O)OC)c2)ccc1N

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.66
ALDH1A1 P00352 7/20 0.66
GAA P10253 6/20 0.66
HSD17B10 Q99714 4/20 0.66
MAPT P10636 4/20 0.66
HPGD P15428 3/20 0.66
TSHR P16473 2/20 0.66
ALOX15 P16050 1/20 0.66
CFTR P13569 3/20 0.60
KMT2A Q03164 2/20 0.59
GFER P55789 1/20 0.59
RXFP1 Q9HBX9 1/20 0.59
GLA P06280 2/20 0.55
CASP1 P29466 1/20 0.55
CASP7 P55210 1/20 0.55
ATM Q13315 1/20 0.55
ABL1 P00519 1/20 0.53
IKBKB O14920 2/20 0.50
MEN1 O00255 1/20 0.46
CYP1A2 P05177 1/20 0.46

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
SCHEMBL11758709 0.93 KDM4E (0.72) KDM4EALDH1A1GAAHSD17B10MAPT
SCHEMBL421466 0.91 IKBKB (0.65) KDM4EALDH1A1GAAHSD17B10MAPT
SCHEMBL1015993 0.90 KDM4E (0.55) KDM4EALDH1A1GAAHSD17B10MAPT
SCHEMBL4264458 0.90 ABL1 (0.61) KDM4EALDH1A1GAAHSD17B10MAPT
SCHEMBL29481401 0.90 KDM4E (0.55) KDM4EALDH1A1GAAHSD17B10MAPT
SCHEMBL21798893 0.88 KDM4E (0.54) KDM4EALDH1A1GAAHSD17B10MAPT
SCHEMBL29543806 0.88 KDM4E (0.54) KDM4EALDH1A1GAAHSD17B10MAPT
SCHEMBL13525215 0.87 ALDH1A1 (0.53) KDM4EALDH1A1GAAHSD17B10MAPT
SCHEMBL5534654 0.87 KDM4E (0.53) KDM4EALDH1A1GAAHSD17B10MAPT
SCHEMBL21798946 0.86 ALDH1A1 (0.51) KDM4EALDH1A1GAAHSD17B10MAPT

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-0823459-B1 Disazo pigment composition and printing ink DAINIPPON INK & CHEMICALS (JP) 2002-04-17 EP disclosed
US-5803962-A Disazo pigment composition and printing ink DAINIPPON INK AND CHEMICALS, INC. (JP) 1998-09-08 US disclosed
EP-0823459-A2 Disazo pigment composition and printing ink DAINIPPON INK AND CHEMICALS, INC. (JP) 1998-02-11 EP disclosed
US-5493011-A PIGMENTING HIGH MOLECULAR WEIGHT NATURAL OR SYNTHETIC ORGANIC MATERIALS HOECHST AG (DE) 1996-02-20 US disclosed
US-4122117-A Indandione bis-azomethine pigments DAINIPPON INK & CHEMICALS, INC. (JP) 1978-10-24 US disclosed
US-4053464-A DISAZO PIGMENTS CONTAINING ETHER SUBSTITUTED ALKOXY CARBONYL GROUPS CIBA-GEIGY CORPORATION (US) 1977-10-11 US disclosed