SCHEMBL9870950

SCHEMBL9870950

CCC1NC(=N)SC1c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
LMNA P02545 2/20 0.33
ADORA3 P0DMS8 1/20 0.33
MAOB P27338 1/20 0.32
GAA P10253 1/20 0.32
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ALDH1A1 P00352 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
HPGD P15428 1/20 0.30
TSHR P16473 1/20 0.30
CYP2C19 P33261 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
SCHEMBL9872560 0.77 SLC6A2 (0.33) MEN1KMT2AMAOBALDH1A1CYP1A2
SCHEMBL29299973 0.65 MEN1 (0.57) MEN1KMT2ALMNAADORA3GAA
SCHEMBL29299975 0.65 MEN1 (0.57) MEN1KMT2ALMNAADORA3GAA
SCHEMBL15676298 0.60 GRM5 (0.44) MEN1KMT2ALMNAADORA3CYP2D6
SCHEMBL19061962 0.60 GRM5 (0.44) MEN1KMT2ALMNAADORA3CYP2D6
SCHEMBL15699098 0.60 GRM5 (0.44) MEN1KMT2ALMNAADORA3CYP2D6
SCHEMBL19795866 0.60 GRM5 (0.44) MEN1KMT2ALMNAADORA3CYP2D6
SCHEMBL8977802 0.58 ALDH1A1 (0.47) MEN1KMT2AALDH1A1CYP1A2CYP3A4
SCHEMBL11573778 0.57 TSHR (0.39) LMNAMAOBMAPK1CYP1A2CYP3A4
SCHEMBL18287177 0.57 MEN1 (0.33) MEN1KMT2ALMNAMAOBGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-58157793-A None JP disclosed
US-4996208-A Pesticidal thiazolopyrimidine derivatives BAYER AKTIENGESELLSCHAFT (DE) 1991-02-26 US disclosed
EP-0348746-A2 Thiazolopyrimidine derivatives, process for their preparation and their use as pest control agents BAYER AG (DE) 1990-01-03 EP disclosed
JP-S58157793-A THIAZOLINOTRIAZINE DERIVATIVE AND AGRICULTURAL AND HORTICULTURAL FUNGICIDE NIPPON SODA CO LTD 1983-09-19 JP disclosed