SCHEMBL9013876

SCHEMBL9013876

N#CSCSc1nsnc1-c1cccs1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 10/20 0.41
KMT2A Q03164 10/20 0.41
ALDH1A1 P00352 9/20 0.41
KDM4E B2RXH2 7/20 0.41
MAPT P10636 10/20 0.39
HPGD P15428 8/20 0.39
POLB P06746 2/20 0.39
CYP1A2 P05177 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
CYP3A4 P08684 1/20 0.38
BCAT1 P54687 1/20 0.36
HSD17B10 Q99714 4/20 0.36
TSHR P16473 4/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
ADORA2B P29275 2/20 0.35
ADORA1 P30542 2/20 0.35

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
SCHEMBL8790107 0.81 CYP1A2 (0.42) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL8790438 0.76
SCHEMBL8792488 0.74 MYC (0.41) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL8791105 0.73 MYC (0.39) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL9392461 0.73 CHRM1 (0.38) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL8789358 0.73 MYC (0.39) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL8789701 0.73 MYC (0.42) KDM4EPOLBNPC1RAB9AADORA1
SCHEMBL8790428 0.71
SCHEMBL2218274 0.71 RPS6KB2 (0.50) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL8790439 0.70 MYC (0.42) MEN1KMT2AALDH1A1KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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