SCHEMBL6889131

SCHEMBL6889131

CCN(CCC#N)c1cccc(C)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GFER P55789 2/20 0.52
ALDH1A1 P00352 9/20 0.48
KMT2A Q03164 3/20 0.48
KDM4E B2RXH2 3/20 0.48
MEN1 O00255 2/20 0.48
THRB P10828 1/20 0.48
CYP3A4 P08684 2/20 0.42
LMNA P02545 3/20 0.40
TSHR P16473 3/20 0.40
ALOX15 P16050 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MAPT P10636 6/20 0.40
USP2 O75604 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
GAA P10253 3/20 0.39
TP53 P04637 3/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HTT P42858 3/20 0.37

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
SCHEMBL8926268 0.92 GFER (0.43) GFERALDH1A1KMT2AKDM4EMEN1
SCHEMBL14606671 0.89 GFER (0.43) GFERALDH1A1KMT2AKDM4EMEN1
SCHEMBL9655660 0.86 CRHR1 (0.42) GFERALDH1A1KMT2AKDM4EMEN1
SCHEMBL31468826 0.86 GFER (0.46) GFERALDH1A1KMT2AKDM4EMEN1
SCHEMBL9300167 0.84 GFER (0.42) GFERALDH1A1KMT2AKDM4EMEN1
SCHEMBL9365623 0.84 ALDH1A1 (0.52) GFERALDH1A1KMT2AMEN1CYP3A4
SCHEMBL11033729 0.84 ALDH1A1 (0.49) GFERALDH1A1KMT2AKDM4EMEN1
SCHEMBL15263425 0.84 ALDH1A1 (0.49) GFERALDH1A1KMT2AKDM4EMEN1
SCHEMBL11433585 0.83 ALDH1A1 (0.43) GFERALDH1A1KMT2AKDM4EMEN1
Hydrochloric Acid SCHEMBL9437914 0.83 ALDH1A1 (0.50) GFERALDH1A1KMT2AKDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-212225474-U Vacuum extractor in production process of N-ethyl-N-cyanoethyl m-toluidine 吴江梅堰三友染料化工有限公司 2020-12-25 CN claimed
US-4877727-A Substrate for determining leucine aminopeptidase or gamma-glutamyltranspeptase activity KYOWA MEDEX CO., LTD. (JP) 1989-10-31 US claimed
EP-0287818-A2 Polymerisable compounds and mixture containing them polymerisable by radiation HOECHST AKTIENGESELLSCHAFT (DE) 1988-10-26 EP claimed
JP-56047450-A None JP disclosed
US-20210363353-A1 Method for Improving Alkali Resistance and Oxidation Resistance of Benzisothiazole Disperse Dye Penglai Jiaxin Dye Chemical Co., LTD (CN) 2021-11-25 US disclosed
US-20210363353-A1 Method for Improving Alkali Resistance and Oxidation Resistance of Benzisothiazole Disperse Dye Penglai Jiaxin Dye Chemical Co., LTD (CN) 2021-11-25 US disclosed
CN-111995879-B Method for enhancing alkali resistance and oxidation resistance of benzisothiazole disperse dye 青岛大学 2021-10-08 CN disclosed
CN-212225474-U Vacuum extractor in production process of N-ethyl-N-cyanoethyl m-toluidine 吴江梅堰三友染料化工有限公司 2020-12-25 CN disclosed
CN-212225474-U Vacuum extractor in production process of N-ethyl-N-cyanoethyl m-toluidine 吴江梅堰三友染料化工有限公司 2020-12-25 CN disclosed
CN-212225474-U Vacuum extractor in production process of N-ethyl-N-cyanoethyl m-toluidine 吴江梅堰三友染料化工有限公司 2020-12-25 CN disclosed
CN-111995879-A Method for enhancing alkali resistance and oxidation resistance of benzisothiazole disperse dye 青岛大学 2020-11-27 CN disclosed
US-4035350-A Process for the preparation of water-soluble azo dyestuffs by reacting an aromatic amine and a coupling component with alkali metal nitrite or alkyl nitrite in the absence of acid HOECHST AKTIENGESELLSCHAFT (DT) 1977-07-12 US disclosed
US-4022763-A Sulfaphenyl-azo-phenyl-azo-aminophenyl dyestuffs BAYER AKTIENGESELLSCHAFT (DT) 1977-05-10 US disclosed
US-4013632-A SYNTHETIC FIBERS PRODUITS CHIMIQUES UGINE KUHLMANN (FR) 1977-03-22 US disclosed
US-4002631-A HEAT-SENSITIVE COLOR FORMERS HODOGAYA CHEMICAL CO., LTD. (JA) 1977-01-11 US disclosed
US-3993619-A AZO DYES BAYER AKTIENGESELLSCHAFT (DT) 1976-11-23 US disclosed
US-3980634-A Phthalimidyl-azo aniline type compounds and polyester fibers dyed therewith EASTMAN KODAK COMPANY (US) 1976-09-14 US disclosed
US-3978039-A POLYAMIDES BAYER AKTIENGESELLSCHAFT (DT) 1976-08-24 US disclosed
US-3971740-A DYES FOR POLYESTER FIBERS CIBA-GEIGY AG (CH) 1976-07-27 US disclosed
US-3933423-A Azoic dyeing of leather E. I. DU PONT DE NEMOURS AND COMPANY (US) 1976-01-20 US disclosed