SCHEMBL9487501

SCHEMBL9487501

CN(C)C=Nc1sc(C=O)c(Cl)c1C#N

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.48
MAPT P10636 7/20 0.48
KDM4E B2RXH2 2/20 0.48
HPGD P15428 1/20 0.48
ALOX15 P16050 1/20 0.48
RAB9A P51151 3/20 0.47
NPC1 O15118 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
LMNA P02545 1/20 0.47
GAA P10253 4/20 0.42
NPSR1 Q6W5P4 4/20 0.33
CYP1A2 P05177 2/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
HTT P42858 2/20 0.32
TSHR P16473 2/20 0.30
MAPK1 P28482 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL10414880 1.00 ALDH1A1 (0.48) ALDH1A1MAPTKDM4EHPGDALOX15
SCHEMBL9487495 1.00 ALDH1A1 (0.48) ALDH1A1MAPTKDM4EHPGDALOX15
SCHEMBL9486798 0.83 ALDH1A1 (0.46) ALDH1A1MAPTKDM4EHPGDALOX15
SCHEMBL9486739 0.82 ALDH1A1 (0.48) ALDH1A1MAPTKDM4EHPGDALOX15
SCHEMBL9486735 0.82 ALDH1A1 (0.48) ALDH1A1MAPTKDM4EHPGDALOX15
SCHEMBL9487852 0.80 ALDH1A1 (0.51) ALDH1A1MAPTKDM4EHPGDALOX15
SCHEMBL9486433 0.80 ALDH1A1 (0.51) ALDH1A1MAPTKDM4EHPGDALOX15
SCHEMBL9487845 0.80 ALDH1A1 (0.51) ALDH1A1MAPTKDM4EHPGDALOX15
SCHEMBL9486428 0.80 ALDH1A1 (0.51) ALDH1A1MAPTKDM4EHPGDALOX15
SCHEMBL10875341 0.79 ALDH1A1 (0.50) ALDH1A1MAPTKDM4EHPGDALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0316786-B1 TRIALKYL AMINE SALTS OF 1,1-DICYANO-2-HYDROXY-3-CHLOROPROP-1-ENE, AND PROCESS FOR THE PREPARATION OF 2-AMINO-4-CHLORO-3-CYANO-5-FORMYL THIOPHENE BASF Aktiengesellschaft (DE) 1991-11-27 EP claimed
EP-0316786-A1 Trialkyl amine salts of 1,1-dicyano-2-hydroxy-3-chloroprop-1-ene, and process for the preparation of 2-amino-4-chloro-3-cyano-5-formyl thiophene BASF Aktiengesellschaft (DE) 1989-05-24 EP claimed
JP-1153668-A None JP disclosed
US-5206375-A Thiophene derivatives BASF AKTIENGESELLSCHAFT (DE) 1993-04-27 US disclosed
EP-0316786-B1 TRIALKYL AMINE SALTS OF 1,1-DICYANO-2-HYDROXY-3-CHLOROPROP-1-ENE, AND PROCESS FOR THE PREPARATION OF 2-AMINO-4-CHLORO-3-CYANO-5-FORMYL THIOPHENE BASF Aktiengesellschaft (DE) 1991-11-27 EP disclosed
US-4980495-A Chemical intermediates for the synthesis of 2-amino-4-chloro-3-cyano-5-formylthiophene or other heterocyclic compounds BASF AKTIENGESELLSCHAFT (DE) 1990-12-25 US disclosed
EP-0251114-B1 THIENOTHIOPHENE DYES BASF Aktiengesellschaft (DE) 1990-05-02 EP disclosed
US-4843153-A Azo dyes containing thienothiophene radicals as radicals of the diazo component BASF AKTIENGESELLSCHAFT (DE) 1989-06-27 US disclosed
JP-H01153668-A TRIALKYLAMINE SALT OF 3-CHLORO-1,1-DICYANO-2-HYDROXY-1-PROPENE AND PREPARATION OF 2-AMINO-4-CHLORO-3-CYANO-5-FORMYLTHIOPHENE THEREFROM BASF AG 1989-06-15 JP disclosed
EP-0193885-B1 THIOPHENE DERIVATIVES BASF Aktiengesellschaft (DE) 1989-06-14 EP disclosed
EP-0316786-A1 Trialkyl amine salts of 1,1-dicyano-2-hydroxy-3-chloroprop-1-ene, and process for the preparation of 2-amino-4-chloro-3-cyano-5-formyl thiophene BASF Aktiengesellschaft (DE) 1989-05-24 EP disclosed
EP-0251114-A2 Thienothiophene dyes BASF Aktiengesellschaft (DE) 1988-01-07 EP disclosed
EP-0193885-A1 Thiophene derivatives BASF Aktiengesellschaft (DE) 1986-09-10 EP disclosed