SCHEMBL729468

SCHEMBL729468

c1ccc2c(c1)ncn2-c1cncs1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.51
▸ POLB P06746 1/20 0.47
▸ FGFR1 P11362 4/20 0.46
▸ CYP17A1 P05093 1/20 0.43
▸ ROCK1 Q13464 1/20 0.42
▸ MKNK1 Q9BUB5 1/20 0.42
▸ MKNK2 Q9HBH9 1/20 0.42
▸ NEK2 P51955 1/20 0.41
▸ PLK1 P53350 1/20 0.41

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
SCHEMBL1307843 0.76 FGFR1 (0.60) HTTPOLBFGFR1ROCK1MKNK1
SCHEMBL29603783 0.76 FGFR1 (0.60) HTTPOLBFGFR1ROCK1MKNK1
SCHEMBL900306 0.72 HTT (0.75) HTTPOLBFGFR1CYP17A1MKNK1
SCHEMBL5246440 0.72 HTT (0.75) HTTFGFR1CYP17A1
Hydrochloric Acid SCHEMBL7975855 0.70 HTT (0.72) HTTPOLBFGFR1CYP17A1MKNK1
SCHEMBL30423052 0.70 HTT (0.67) HTTPOLBFGFR1CYP17A1
SCHEMBL15416577 0.70 HTT (0.67) HTTPOLBFGFR1CYP17A1
SCHEMBL3419279 0.70 HTT (0.88) HTTPOLBFGFR1
SCHEMBL3417306 0.70 HTT (0.73) HTTPOLBFGFR1ROCK1MKNK1
SCHEMBL30402227 0.70 HTT (0.88) HTTPOLBFGFR1

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6331203-B2 COMPRISING A PIGMENT, A WATER-SOLUBLE ORGANIC SOLVENT, WATER, XANTHANE GUM OF 0.01 TO ABOUT 0.2 WT. % AND AN IONIC POLYSACCHARIDE OTHER THAN XANTHANE GUM; STABILITY KOTOBUKI & CO., LTD. (JP) 2001-12-18 — — US claimed
US-20010023651-A1 Aqueous ink composition for ball-point pen HATTORI KATSUYA (JP) 2001-09-27 — — US claimed
US-6275816-B1 A PIGMENT, A WATER SOLUBLE ORGANIC SOLVENT, WATER, XANTHANE GUM, AND SODIUM ALGINATE; STABLE OVER TIME AND HIGH PIGMENT DISPERSION STABILITY KOTOBUKI & CO., LTD (JP) 2001-08-14 — — US claimed
EP-2540784-B1 W/O-TYPE EMULSION INK COMPOSITION FOR WRITING UTENSIL AND WRITING UTENSIL ZEBRA CO LTD (JP) 2016-11-30 — — EP disclosed
US-8784546-B2 W/O-type emulsion ink composition for writing utensil and writing utensil ZEBRA CO., LTD. (JP) 2014-07-22 — — US disclosed
US-20130200307-A1 W/O-TYPE EMULSION INK COMPOSITION FOR WRITING UTENSIL AND WRITING UTENSIL ZEBRA CO., LTD. (JP) 2013-08-08 — — US disclosed
EP-2223979-B1 WRITING INK COMPOSITION ZEBRA CO LTD (JP) 2013-06-26 — — EP disclosed
EP-2540784-A1 W/O-TYPE EMULSION INK COMPOSITION FOR WRITING UTENSIL AND WRITING UTENSIL ZEBRA CO., LTD. (JP) 2013-01-02 — — EP disclosed
US-8246734-B2 Writing ink composition ZEBRA CO., LTD. (JP) 2012-08-21 — — US disclosed
EP-2159273-B1 Ink composition for writing instrument and writing instrument ZEBRA CO LTD (JP) 2012-07-04 — — EP disclosed
US-8137019-B2 Ink composition for writing instrument and writing instrument ZEBRA CO., LTD. (JP) 2012-03-20 — — US disclosed
EP-0694596-A1 Aqueous ink composition for ball point pen MITSUBISHI PENCIL KABUSHIKI KAISHA (JP) 1996-01-31 — — EP disclosed
US-5468738-A Amine siloxane conpounds with metals TOKUYAMA CORPORATION (JP) 1995-11-21 — — US disclosed
EP-0588601-A1 Fungicide and its use TOKUYAMA CORPORATION (JP) 1994-03-23 — — EP disclosed
EP-0153885-B1 TETRAARYLBORON-AMMONIUM COMPLEXES AND THEIR USES HOKKO CHEMICAL INDUSTRY CO., LTD (JP) 1989-11-02 — — EP disclosed
US-4613373-A ANTIFOULING, ANTIFUNGAL, ANTISEPTIC HOKKO CHEMICAL INDUSTRY CO., LTD. (JP) 1986-09-23 — — US disclosed
EP-0168094-A1 Plant growth regulators COALITE GROUP LIMITED (GB) 1986-01-15 — — EP disclosed
EP-0153885-A1 Tetraarylboron-ammonium complexes and their uses HOKKO CHEMICAL INDUSTRY CO., LTD (JP) 1985-09-04 — — EP disclosed
EP-0087269-A1 Plant growth regulators COALITE GROUP PLC (GB) 1983-08-31 — — EP disclosed
US-4148891-A NATAMYCIN, AUREOFUNGIN, OR LUCENSOMYCIN IN ALKANOL AND ALKANOIC ACID TO PROTECT AGRICULTURAL PRODUCTS FROM MOLD GIST-BROCADES N.V. (NL) 1979-04-10 — — US disclosed
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