SCHEMBL9657157

SCHEMBL9657157

CN(C)c1ccc(C(c2ccc(NCc3ccccc3)cc2)c2ccc(N(C)C)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.53
CA1 P00915 3/20 0.51
CA2 P00918 3/20 0.51
CA9 Q16790 2/20 0.51
MAOA P21397 1/20 0.50
MAOB P27338 1/20 0.50
ALDH1A1 P00352 7/20 0.47
MAPT P10636 6/20 0.47
NPC1 O15118 4/20 0.47
RAB9A P51151 4/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
CNR2 P34972 1/20 0.47
GAA P10253 1/20 0.47
CYP1A2 P05177 5/20 0.46
KDM4E B2RXH2 4/20 0.46
CYP3A4 P08684 4/20 0.46
HPGD P15428 4/20 0.46
HSD17B10 Q99714 4/20 0.46
CYP2D6 P10635 4/20 0.46
MAPK1 P28482 4/20 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
SCHEMBL9658358 1.00 HTT (0.53) HTTCA1CA2CA9MAOA
SCHEMBL7345587 0.90 HTT (0.63) HTTCA1CA2CA9MAOA
SCHEMBL3899915 0.87 HTT (0.62) HTTCA1CA2CA9ALDH1A1
SCHEMBL10528669 0.84 HIF1A (0.44) HTTCA1CA2CA9MAOA
SCHEMBL855757 0.83 CA1 (0.59) HTTCA1CA2CA9MAOA
SCHEMBL5010082 0.82 NPC1 (0.51) MAOAMAOBALDH1A1MAPTNPC1
SCHEMBL856237 0.81 CA1 (0.70) HTTCA1CA2CA9MAOA
SCHEMBL11149747 0.81 HIF1A (0.48) HTTCA1CA2CA9ALDH1A1
SCHEMBL854384 0.81 CA1 (0.57) HTTCA1CA2CA9MAOA
SCHEMBL10528688 0.80 MAPT (0.47) ALDH1A1MAPTNPC1RAB9AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5130291-A HEAT-SENSITIVE RECORDING PAPER OSAKA SEALING PRINTING CO., LTD. (JP) 1992-07-14 US disclosed
EP-0133182-B1 OXIDATION-REDUCTION COLOR PRODUCTION-TYPE HEAT-SENSITIVE RECORDING UNIT MITSUI TOATSU CHEMICALS, Inc. (JP) 1989-03-15 EP disclosed
EP-0055847-B1 PRESSURE SENSITIVE RECORDING UNIT MITSUI TOATSU CHEMICALS, Inc. (JP) 1986-04-02 EP disclosed
US-4561000-A METHINE-TYPE CHROMOGEN, BENZOQUINONE OXIDIZER, COLOR PRODUCTION SENSITIVITY REGULATOR, SUBSTRATE MITSUI TOATSU CHEMICALS, INC. (JP) 1985-12-24 US disclosed
EP-0058430-B1 DYESTUFF-CONTAINING MICROSCOPIC CAPSULE DISPERSION FOR RECORD MATERIALS MITSUI TOATSU CHEMICALS, Inc. (JP) 1985-12-04 EP disclosed
EP-0133182-A1 OXIDATION-REDUCTION COLOR PRODUCTION-TYPE HEAT-SENSITIVE RECORDING UNIT MITSUI TOATSU CHEMICALS, Inc. (JP) 1985-02-20 EP disclosed
US-4398753-A METHINE-TYPE DYES AND QUINONE DERIVATIVE IN REDOX SYSTEM FOR CARBON-FREE REPRODUCTION MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1983-08-16 US disclosed
US-4384871-A Dyestuff-containing microscopic capsule dispersion for record materials MITSUI TOATSU CHEMICALS, INC. (JP) 1983-05-24 US disclosed
EP-0058430-A1 Dyestuff-containing microscopic capsule dispersion for record materials MITSUI TOATSU CHEMICALS, Inc. (JP) 1982-08-25 EP disclosed
EP-0055847-A1 Pressure sensitive recording unit MITSUI TOATSU CHEMICALS, Inc. (JP) 1982-07-14 EP disclosed