SCHEMBL8791105

SCHEMBL8791105

N#CSCSc1nsnc1-c1ccc(Cl)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MYC P01106 3/20 0.39
WDR5 P61964 3/20 0.39
ERBB2 P04626 1/20 0.38
KDM1A O60341 1/20 0.35
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
LMNA P02545 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
ALDH3A1 P30838 1/20 0.33
DCUN1D1 Q96GG9 2/20 0.32
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 2/20 0.32
MAPT P10636 2/20 0.32
HPGD P15428 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
LDHA P00338 1/20 0.32
POLB P06746 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
SCHEMBL8789358 0.86 MYC (0.39) MYCWDR5ERBB2KDM1AMEN1
SCHEMBL8790428 0.83
SCHEMBL8789701 0.82 MYC (0.42) MYCWDR5KDM4EPOLBNPC1
SCHEMBL8790439 0.82 MYC (0.42) MYCWDR5MEN1KMT2AKDM4E
SCHEMBL8789633 0.80 MYC (0.50) MYCWDR5ERBB2KDM1AMEN1
SCHEMBL8792488 0.78 MYC (0.41) MYCWDR5MEN1KMT2ADCUN1D1
SCHEMBL9013876 0.73 MEN1 (0.41) MEN1KMT2ALMNACYP1A2CYP2C9
SCHEMBL8789887 0.73 MAPT (0.43) MEN1KMT2ALMNADCUN1D1KDM4E
SCHEMBL15850505 0.70 KDM4E (0.45) MYCWDR5ERBB2LMNACYP1A2
SCHEMBL8790438 0.69

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0799216-A1 SUBSTITUTED THIADIAZOLES, COMPOSITIONS CONTAINING THEM AND THEIR USE AS ANTIMICROBIAL AND MARINE ANTIFOULING AGENTS THE DOW CHEMICAL COMPANY (US) 1997-10-08 EP disclosed
WO-1996019467-A1 SUBSTITUTED THIADIAZOLES, COMPOSITIONS CONTAINING THEM AND THEIR USE AS ANTIMICROBIAL AND MARINE ANTIFOULING AGENTS THE DOW CHEMICAL COMPANY (US) 1996-06-27 WO disclosed
US-5488060-A Substituted thiadiazoles, compositions containing them and their use as antimicrobial and marine antifouling agents THE DOW CHEMICAL COMPANY (US) 1996-01-30 US disclosed