Sugi Predict

Sugi Predict / Compounds / SCHEMBL5879665

SCHEMBL5879665

SCHEMBL5879665

O=c1[nH]c2cscc2c(=O)c2cscc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ LMNA P02545 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ TNKS O95271 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ PARP1 P09874 1/20 0.34
▸ GPR3 P46089 1/20 0.34
▸ BLM P54132 1/20 0.34
▸ PMP22 Q01453 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ PARP15 Q460N3 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ TNKS2 Q9H2K2 1/20 0.34
▸ DAO P14920 1/20 0.33
▸ SRC P12931 1/20 0.32
▸ GLA P06280 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ HTT P42858 1/20 0.32

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
SCHEMBL5879790 0.80 KDM4E (0.61) KDM4EALDH1A1LMNAMEN1TNKS
SCHEMBL4314822 0.73 DAO (0.48) KDM4EALDH1A1LMNAMEN1CYP1A2
SCHEMBL10772221 0.72 PARP1 (0.31) KDM4EALDH1A1LMNAMEN1CYP1A2
SCHEMBL30273124 0.71 PARP1 (0.67) KDM4EALDH1A1LMNAMEN1TNKS
SCHEMBL24840442 0.68 ALOX5 (0.40) KDM4EALDH1A1PARP15HSD17B10DAO
SCHEMBL14560919 0.67 — —
SCHEMBL10764175 0.66 PARP1 (0.31) PARP1
SCHEMBL13688018 0.66 PARP1 (0.69) KDM4EALDH1A1LMNAMEN1TNKS
SCHEMBL13631827 0.66 PADI4 (0.35) KDM4EALDH1A1MEN1KMT2ADAO
SCHEMBL11090367 0.66 GPR35 (0.39) KDM4EALDH1A1MEN1CYP1A2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0209773-B1 PROCESS FOR PREPARING 4,5-DIHYDRO-DITHIENOL (3,4B:3'4'-E)-AZEPIN-5,9-DIONE BASF Aktiengesellschaft (DE) 1989-10-04 — — EP claimed
US-4661591-A Preparation of 4,5-dihydrodithieno[3,4-b:3',4'-e]azepine-5,9-dione BASF AKTIENGESELLSCHAFT (DE) 1987-04-28 — — US claimed
EP-0209773-A1 Process for preparing 4,5-dihydro-dithienol (3,4b:3'4'-e)-azepin-5,9-dione BASF Aktiengesellschaft (DE) 1987-01-28 — — EP claimed
US-7105508-B1 Integrin receptors antagonists ABBOTT GMBH & CO. KG (DE) 2006-09-12 — — US disclosed
EP-0209773-B1 PROCESS FOR PREPARING 4,5-DIHYDRO-DITHIENOL (3,4B:3'4'-E)-AZEPIN-5,9-DIONE BASF Aktiengesellschaft (DE) 1989-10-04 — — EP disclosed
US-4661591-A Preparation of 4,5-dihydrodithieno[3,4-b:3',4'-e]azepine-5,9-dione BASF AKTIENGESELLSCHAFT (DE) 1987-04-28 — — US disclosed
US-4661591-A Preparation of 4,5-dihydrodithieno[3,4-b:3',4'-e]azepine-5,9-dione BASF AKTIENGESELLSCHAFT (DE) 1987-04-28 — — US disclosed
US-4661591-A Preparation of 4,5-dihydrodithieno[3,4-b:3',4'-e]azepine-5,9-dione BASF AKTIENGESELLSCHAFT (DE) 1987-04-28 — — US disclosed
EP-0209773-A1 Process for preparing 4,5-dihydro-dithienol (3,4b:3'4'-e)-azepin-5,9-dione BASF Aktiengesellschaft (DE) 1987-01-28 — — EP disclosed
EP-0050212-B1 5-SUBSTITUTED-9-CYANE-METHYLENE-DITHIENO(3,4-B:4',3'-E) AZEPINES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM BASF Aktiengesellschaft (DE) 1984-01-11 — — EP disclosed
US-4362727-A SEDATIVES, HYPNOTICS, TRANQUILIZERS, NEUROLEPTICS, ANTIPARKINSON BASF AKTIENGESELLSCHAFT (DE) 1982-12-07 — — US disclosed
EP-0050212-A1 5-Substituted-9-cyane-methylene-dithieno(3,4-b:4',3'-e) azepines, process for their preparation and pharmaceutical compositions containing them BASF Aktiengesellschaft (DE) 1982-04-28 — — EP disclosed