SCHEMBL4908899

SCHEMBL4908899

c1ccc2c(N=NNc3cccc4ccccc34)cccc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.50
GRIN2D O15399 1/20 0.50
GRIN3B O60391 1/20 0.50
GRIN1 Q05586 1/20 0.50
GRIN2A Q12879 1/20 0.50
GRIN2B Q13224 1/20 0.50
GRIN2C Q14957 1/20 0.50
GRIN3A Q8TCU5 1/20 0.50
ALDH1A1 P00352 4/20 0.44
HSD17B10 Q99714 4/20 0.44
CYP3A4 P08684 3/20 0.44
HPGD P15428 3/20 0.44
TSHR P16473 3/20 0.44
ALOX15 P16050 2/20 0.44
TP53 P04637 1/20 0.44
CDC25B P30305 1/20 0.44
ATM Q13315 1/20 0.44
CYP1A2 P05177 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
ABCB11 O95342 1/20 0.43

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
SCHEMBL22062012 1.00 SIGMAR1 (0.50) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL1572609 0.81 TSHR (0.52) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL8520862 0.81 TDP1 (0.52) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL8520861 0.81 TDP1 (0.52) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL1348095 0.81 TSHR (0.52) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
Hydrochloric Acid SCHEMBL5846986 0.80 TSHR (0.50) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL2291745 0.77 CYP1A2 (0.58) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL7650795 0.77 CYP1A2 (0.58) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL22062056 0.76 RAB9A (0.49) ALDH1A1HSD17B10CYP3A4HPGDTSHR
SCHEMBL28496032 0.75 CYP1A2 (0.56) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0629249-B1 PROCESS FOR THE DYEING OF CELLULOSE-CONTAINING FIBRE MATERIALS WITH REACTIVE DYES CIBA GEIGY AG (CH) 1997-01-08 EP claimed
US-5525124-A IN PRESENCE OF REDUCED CONCENTRATION OF A MINERAL ACID SALT CIBA-GEIGY CORPORATION (US) 1996-06-11 US claimed
EP-0629249-A1 PROCESS FOR THE DYEING OF CELLULOSE-CONTAINING FIBRE MATERIALS WITH REACTIVE DYES. CIBA GEIGY AG (CH) 1994-12-21 EP claimed
EP-0298041-B1 Reactive dyes, their preparation and their use CIBA GEIGY AG (CH) 1994-06-08 EP claimed
WO-1993018224-A1 PROCESS FOR THE DYEING OF CELLULOSE-CONTAINING FIBRE MATERIALS WITH REACTIVE DYES CIBA-GEIGY AG (CH) 1993-09-16 WO claimed
EP-0026088-B1 PHOTORESIST COMPOSITIONS JAPAN SYNTHETIC RUBBER CO., LTD. (JP) 1983-11-23 EP claimed
EP-0026088-A2 Photoresist compositions JAPAN SYNTHETIC RUBBER CO., LTD. (JP) 1981-04-01 EP claimed
US-20080145532-A1 Method of making tactile features on cartons KIMBERLY-CLARK WORLDWIDE, INC. 2008-06-19 US disclosed
EP-0629249-B1 PROCESS FOR THE DYEING OF CELLULOSE-CONTAINING FIBRE MATERIALS WITH REACTIVE DYES CIBA GEIGY AG (CH) 1997-01-08 EP disclosed
US-5525124-A IN PRESENCE OF REDUCED CONCENTRATION OF A MINERAL ACID SALT CIBA-GEIGY CORPORATION (US) 1996-06-11 US disclosed
US-5490866-A MIXTURE OF POLYVINYLPYRROLIDONE AND ALKALI SILICATE CIBA-GEIGY CORPORATION (US) 1996-02-13 US disclosed
EP-0629249-A1 PROCESS FOR THE DYEING OF CELLULOSE-CONTAINING FIBRE MATERIALS WITH REACTIVE DYES. CIBA GEIGY AG (CH) 1994-12-21 EP disclosed
WO-1993018224-A1 PROCESS FOR THE DYEING OF CELLULOSE-CONTAINING FIBRE MATERIALS WITH REACTIVE DYES CIBA-GEIGY AG (CH) 1993-09-16 WO disclosed
US-4975530-A 4,6-diaminopyrimidine or the like intermediates for the preparation of fiber-reactive dyes CIBA-GEIGY CORPORATION (US) 1990-12-04 US disclosed
US-4900813-A Fiber-reactive azo dyes having a 4,6-diaminopyridine coupling component CIBA-GEIGY CORPORATION (US) 1990-02-13 US disclosed
US-4707545-A Process for the preparation of lithium salts of anionic dyes by reacting the calcium salts with lithium sulfate or lithium hydrogen sulfate HOECHST AKTIENGESELLSCHAFT (DE) 1987-11-17 US disclosed
EP-0026088-B1 PHOTORESIST COMPOSITIONS JAPAN SYNTHETIC RUBBER CO., LTD. (JP) 1983-11-23 EP disclosed
US-4349619-A CONTAINING ANTIHALATION AGENTS JAPAN SYNTHETIC RUBBER CO., LTD. (JP) 1982-09-14 US disclosed
EP-0026088-A2 Photoresist compositions JAPAN SYNTHETIC RUBBER CO., LTD. (JP) 1981-04-01 EP disclosed
US-4055613-A Production of three-dimensional designs AKROSIL CORPORATION (US) 1977-10-25 US disclosed