SCHEMBL6678693

SCHEMBL6678693

O=[C]NCOc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.44
ALOX15 P16050 1/20 0.43
HTR1B P28222 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
DRD2 P14416 1/20 0.41
DRD4 P21917 1/20 0.41
DRD3 P35462 1/20 0.41
HTR1D P28221 1/20 0.41
NPC1 O15118 1/20 0.41
TSHR P16473 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TAAR1 Q96RJ0 1/20 0.40
ALDH1A1 P00352 1/20 0.40
RECQL P46063 1/20 0.40
AOC3 Q16853 1/20 0.39
HTR1A P08908 1/20 0.39
ADRA1D P25100 1/20 0.39
ADRA1A P35348 1/20 0.39

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
SCHEMBL3848563 0.79 DRD4 (0.57) KCNA3HTR1BDRD2DRD4DRD3
SCHEMBL6673795 0.78 DRD4 (0.60) KCNA3HTR1BDRD2DRD4DRD3
SCHEMBL503153 0.74 KCNA3 (0.55) KCNA3ALOX15HTR1BDRD2DRD4
SCHEMBL18517166 0.72 KCNA3 (0.52) KCNA3ALOX15HTR1BCYP2C9CYP2C19
SCHEMBL5418401 0.71 DRD4 (0.39) KCNA3ALOX15HTR1BCYP2C9CYP2C19
SCHEMBL24458 0.70 KCNA3 (0.50) KCNA3ALOX15HTR1BCYP2C9CYP2C19
SCHEMBL25060330 0.70 TAAR1 (0.50) KCNA3ALOX15HTR1BDRD2DRD4
SCHEMBL11895736 0.70 HTR1B (0.61) KCNA3ALOX15HTR1BDRD2DRD4
SCHEMBL9554727 0.70 MMP3 (0.51) HTR1BDRD2DRD4DRD3HTR1D
SCHEMBL11894889 0.70 DRD4 (0.46) KCNA3HTR1BDRD2DRD4DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004041799-A1 5- (SUBSTITUTED PHENYL) -THIADIAZOLIDINE-3-ONES AND THEIR USE AS PTP1B ASTRAZENECA AB (SE) 2004-05-21 WO disclosed
US-6613814-B2 Water-dispersed particles of an oil-soluble pyrrolotriazol-azomethine dyes and an oil-soluble polymer; reproduction, especially cyan color; waterproofing; colorfastness; storage stability; antifouling agents; paper FUJI PHOTO FILM CO., LTD. (JP) 2003-09-02 US disclosed
US-20010020055-A1 Coloring composition, ink for ink jet, and ink jet recording method FUJIFILM CORPORATION (JP) 2001-09-06 US disclosed
EP-0903350-A1 Pyrrolotriazole derivative FUJI PHOTO FILM CO., LTD. (JP) 1999-03-24 EP disclosed
EP-0423796-B1 Thermal transfer dye donating materials FUJI PHOTO FILM CO LTD (JP) 1996-05-29 EP disclosed
US-5508421-A Pyrrolotriazole azomethine dye, and heat transfer dye providing material containing a pyrrolotriazole azomethine dye FUJI PHOTO FILM CO., LTD. (JP) 1996-04-16 US disclosed
US-5403811-A Colorfast images FUJI PHOTO FILM CO., LTD. (JP) 1995-04-04 US disclosed
US-5362882-A Intermediates for dyes for polyesters, images for heat sensitive elements and electrography FUJI PHOTO FILM CO., LTD. (JP) 1994-11-08 US disclosed
US-5344933-A Pyrrole ring-or condensed pyrrole ring-containing azomethine dye FUJI PHOTO FILM CO., LTD. (JP) 1994-09-06 US disclosed
US-5262377-A Colorfastness FUJI PHOTO FILM CO., LTD. (JP) 1993-11-16 US disclosed
US-5238903-A Azo-methine dye on support FUJI PHOTO FILM CO., LTD. (JP) 1993-08-24 US disclosed
US-5227359-A Pyrazoloazole dyes FUJI PHOTO FILM CO., LTD. (JP) 1993-07-13 US disclosed
US-5210200-A Fast to heat and light FUJI PHOTO FILM CO., LTD. (JP) 1993-05-11 US disclosed
EP-0518238-A1 Pyrrolotriazole derivative FUJI PHOTO FILM CO., LTD. (JP) 1992-12-16 EP disclosed
US-5122611-A Oxidative condensation of active methylene or methine containing compound with a p-phenylene diamine component in methylene chloride solvent FUJI PHOTO FILM CO., LTD. (JP) 1992-06-16 US disclosed
US-5034371-A Cyan, yellow and magenta dyes FUJI PHOTO FILM CO., LTD. (JP) 1991-07-23 US disclosed
EP-0423796-A1 Thermal transfer dye donating materials FUJI PHOTO FILM CO., LTD. (JP) 1991-04-24 EP disclosed
US-4975409-A Ketone imine dyes; colorfastness; copies FUJI PHOTO FILM CO., LTD. (JP) 1990-12-04 US disclosed