SCHEMBL7003540

SCHEMBL7003540

Oc1ccc(Nc2ccccc2)c(Cl)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.65
GAA P10253 4/20 0.65
TDP1 Q9NUW8 3/20 0.65
HTT P42858 2/20 0.65
ALOX15 P16050 1/20 0.65
CYP3A4 P08684 1/20 0.52
TSHR P16473 1/20 0.52
TNIK Q9UKE5 1/20 0.45
HSD17B10 Q99714 3/20 0.45
CXCR2 P25025 4/20 0.44
BRAF P15056 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
CAMK2A Q9UQM7 2/20 0.43
KDM4E B2RXH2 3/20 0.42
MAPT P10636 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
RECQL P46063 2/20 0.42
NSD2 O96028 1/20 0.42
POLB P06746 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
SCHEMBL11009117 0.81 GAA (0.46) ALDH1A1GAATDP1HTTALOX15
SCHEMBL9631014 0.80 ALDH1A1 (0.69) ALDH1A1GAATDP1HTTALOX15
SCHEMBL10011040 0.80 CYP3A4 (0.55) ALDH1A1GAATDP1HTTALOX15
SCHEMBL29267932 0.80 ALDH1A1 (0.69) ALDH1A1GAATDP1HTTALOX15
SCHEMBL14577619 0.80 TSHR (0.55) ALDH1A1GAATDP1HTTALOX15
SCHEMBL14315671 0.79 ALDH1A1 (0.67) ALDH1A1GAATDP1HTTALOX15
SCHEMBL15968528 0.78 GAA (1.00) ALDH1A1GAATDP1HTTALOX15
SCHEMBL29757943 0.78 MAOA (0.61) GAATDP1HTTTSHRCXCR2
SCHEMBL21750979 0.78 MAOA (0.61) GAATDP1HTTTSHRCXCR2
SCHEMBL8977973 0.78 AMY1A (0.45) ALDH1A1GAATDP1HTTALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-58076458-A None JP disclosed
US-6635602-B1 Heat sensitive and pressure sensitive recording material; synthesised directly by the reaction of two derivatives of amino phenols, phthalic anhydrides, keto acids and/or diphenylamines with a phenol derivative CIBA SPECIALTY CHEMICALS CORPORATION 2003-10-21 US disclosed
US-6566302-B1 For use in heat sensitive and pressure sensitive recording materials CIBA SPECIALTY CHEMICALS CORPORATION 2003-05-20 US disclosed
EP-1107972-B1 PREPARATION PROCESS FOR MANUFACTURE AND PURIFICATION OF MIXTURES OF FLUORAN COMPOUNDS AND RECORDING MATERIAL COMPRISING SAID MIXTURES OF FLUORAN CIBA SC HOLDING AG (CH) 2003-01-02 EP disclosed
EP-1115579-B1 MONOPHASE SOLID SOLUTIONS COMPRISING A PLURALITY OF COLOUR FORMER COMPOUNDS AND PROCESS FOR THEIR PREPARATION CIBA SC HOLDING AG (CH) 2002-11-20 EP disclosed
EP-1115579-A1 MONOPHASE SOLID SOLUTIONS COMPRISING A PLURALITY OF COLOUR FORMER COMPOUNDS AND PROCESS FOR THEIR PREPARATION Ciba SC Holding AG (CH) 2001-07-18 EP disclosed
WO-2000026037-A1 HEAT SENSITIVE RECORDING MATERIAL CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2000-05-11 WO disclosed
WO-2000012318-A1 MONOPHASE SOLID SOLUTIONS COMPRISING A PLURALITY OF COLOUR FORMER COMPOUNDS AND PROCESS FOR THEIR PREPARATION CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2000-03-09 WO disclosed
US-4535348-A 2-ARYLAMINO-3-HALO-6-DIALKYAMINO-SUBSTITUTED; FOR PRESSURE , HEAT AND LIGHT SENSITIVE SHEETS; STABILITY FUJI PHOTO FILM CO., LTD. (JP) 1985-08-13 US disclosed
JP-S5876458-A FLUORAN DERIVATIVE AND RECORDING MATERIAL USING THE SAME FUJI PHOTO FILM CO LTD 1983-05-09 JP disclosed
US-4187193-A Micro-capsules containing ureido fluoran chromogenic compounds CHAMPION INTERNATIONAL CORPORATION (US) 1980-02-05 US disclosed
US-4104437-A Pressure-sensitive copy system including ureido fluoran chromogenic compounds CHAMPION INTERNATIONAL CORPORATION (US) 1978-08-01 US disclosed