SCHEMBL8777864

SCHEMBL8777864

COc1cc(C#N)c(OC)cc1N

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.58
KDM4E B2RXH2 1/20 0.58
USP2 O75604 1/20 0.58
POLB P06746 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
AR P10275 10/20 0.46
HTR2A P28223 1/20 0.45
GAA P10253 1/20 0.45
IMPDH2 P12268 1/20 0.44
IMPDH1 P20839 1/20 0.44
PKM P14618 1/20 0.44
P2RX3 P56373 1/20 0.43
P2RX2 Q9UBL9 1/20 0.43
PGR P06401 1/20 0.42
CYP3A4 P08684 1/20 0.42
TSHR P16473 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TDP1 Q9NUW8 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
Hydrochloric Acid SCHEMBL11411334 0.98 ALDH1A1 (0.56) ALDH1A1KDM4EUSP2POLBL3MBTL1
SCHEMBL1511834 0.89 ALDH1A1 (0.60) ALDH1A1KDM4EUSP2ARIMPDH2
SCHEMBL2761994 0.87 ALDH1A1 (0.59) ALDH1A1KDM4EUSP2ARHTR2A
SCHEMBL82833 0.85 ALDH1A1 (0.55) ALDH1A1KDM4EUSP2POLBL3MBTL1
SCHEMBL1981958 0.84 KDM4E (0.55) ALDH1A1KDM4EUSP2POLBL3MBTL1
SCHEMBL14993875 0.84 ALDH1A1 (0.50) ALDH1A1KDM4EUSP2POLBL3MBTL1
SCHEMBL24823994 0.82 POLB (0.62) ALDH1A1KDM4EUSP2POLBL3MBTL1
SCHEMBL3344289 0.82 ALDH1A1 (0.53) ALDH1A1KDM4EUSP2POLBL3MBTL1
SCHEMBL29560325 0.82 ALDH1A1 (0.49) ALDH1A1KDM4EUSP2POLBL3MBTL1
SCHEMBL2566487 0.82 NPC1 (0.60) ALDH1A1KDM4EUSP2ARGAA

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-0585873-B1 Method of preparing disazo pigments CLARIANT GMBH (DE) 1997-12-29 EP disclosed
US-5559216-A AZO COUPLING HOECHST AG (DE) 1996-09-24 US disclosed
US-5493011-A PIGMENTING HIGH MOLECULAR WEIGHT NATURAL OR SYNTHETIC ORGANIC MATERIALS HOECHST AG (DE) 1996-02-20 US disclosed
EP-0518909-B1 WATER-INSOLUBLE AZO DYES, THEIR MANUFACTURE AND USE HOECHST AG (DE) 1994-05-25 EP disclosed
EP-0585873-A1 Method of preparing disazo pigments HOECHST AKTIENGESELLSCHAFT (DE) 1994-03-09 EP disclosed
EP-0518909-A1 WATER-INSOLUBLE AZO DYES, THEIR MANUFACTURE AND USE. HOECHST AG (DE) 1992-12-23 EP disclosed
EP-0316649-B1 WATER INSOLUBLE AZO COLOURING AGENTS, THEIR PREPARATION AND USE HOECHST AKTIENGESELLSCHAFT (DE) 1992-07-22 EP disclosed
WO-1991013941-A1 WATER-INSOLUBLE AZO DYES, THEIR MANUFACTURE AND USE HOECHST AKTIENGESELLSCHAFT (DE) 1991-09-19 WO disclosed
EP-0316649-A2 Water insoluble azo colouring agents, their preparation and use HOECHST AKTIENGESELLSCHAFT (DE) 1989-05-24 EP disclosed
EP-0055218-B1 MANUFACTURE OF AZOIC COMPOUNDS CIBA-GEIGY AG (CH) 1986-03-26 EP disclosed
US-4496481-A REACTING AMINE, COUPLING COMPONENT AND NITRITE;PIGMENTS AND DISPERSE DYES CIBA-GEIGY CORPORATION (US) 1985-01-29 US disclosed
EP-0055218-A2 Manufacture of azoic compounds CIBA-GEIGY AG (CH) 1982-06-30 EP disclosed
US-4245993-A Highly concentrated, stable, free-flowing aqueous dispersions of diazotizable aromatic amines bearing electrophilic substituents ROHNER AG PRATTELN (CH) 1981-01-20 US disclosed
US-4168952-A ACETOACETIC ACID ARYLAMIDE AS COUPLER HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1979-09-25 US disclosed
US-4162893-A Process for dyeing human hair with diazo salts HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (HENKEL KGAA) (DE) 1979-07-31 US disclosed
US-4094637-A Process for the printing with developing dyes HOECHST AKTIENGESELLSCHAFT (DT) 1978-06-13 US disclosed
US-4039529-A Cycloaliphatic dicarbonyl containing azo dyestuffs CIBA-GEIGY AG (CH) 1977-08-02 US disclosed
US-3990985-A Stable and storable aqueous dispersions of primary aromatic amines, their preparation and use HOECHST AKTIENGESELLSCHAFT (DT) 1976-11-09 US disclosed
US-3961884-A Process for dyeing textile material of polyester fiber/cellulose blends HOECHST AKTIENGESELLSCHAFT (DT) 1976-06-08 US disclosed
US-3933887-A Process for preparing 4-amino-2,5-dialkoxybenzonitriles HOECHST AKTIENGESELLSCHAFT (DT) 1976-01-20 US disclosed