SCHEMBL8788680

SCHEMBL8788680

N#CSCSc1nsnc1-c1cccnc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.41
CHRM4 P08173 1/20 0.41
CHRM5 P08912 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.41
LMNA P02545 2/20 0.38
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 2/20 0.38
HPGD P15428 2/20 0.38
CLK1 P49759 1/20 0.38
IDO1 P14902 1/20 0.38
LRRK2 Q5S007 1/20 0.38
CYP11B2 P19099 1/20 0.37
ADORA1 P30542 4/20 0.36
ADORA2A P29274 3/20 0.36
CYP2A6 P11509 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL8789377 0.82 IDO1 (0.42) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL7613104 0.79 CHRM2 (0.48) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL7465627 0.78 CHRM1 (0.41) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL8789358 0.77 MYC (0.39) CHRM2CHRM1LMNAALDH1A1KDM4E
SCHEMBL8791105 0.77 MYC (0.39) LMNAALDH1A1KDM4EHPGDCYP1A2
SCHEMBL7614458 0.77 CHRM2 (0.46) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL8789887 0.75 MAPT (0.43) LMNAALDH1A1KDM4EHPGDADORA1
SCHEMBL7611851 0.75 CHRM2 (0.47) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL7612811 0.74 CYP2A6 (0.45) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL7612078 0.74 CHRM1 (0.46) CHRM2CHRM4CHRM5CHRM1CHRM3

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