SCHEMBL2589792

SCHEMBL2589792

CN1C(=O)CS/C1=N/c1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.68
KMT2A Q03164 2/20 0.68
ALDH1A1 P00352 5/20 0.61
TSHR P16473 2/20 0.61
GAA P10253 1/20 0.61
NPSR1 Q6W5P4 1/20 0.61
CA9 Q16790 1/20 0.52
MAPT P10636 3/20 0.49
GFER P55789 1/20 0.45
ATM Q13315 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
LMNA P02545 2/20 0.43
MAPK1 P28482 1/20 0.43
AURKA O14965 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
TTR P02766 1/20 0.41
POLB P06746 1/20 0.41
ALOX12 P18054 1/20 0.41

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
SCHEMBL2589796 1.00 MEN1 (0.68) MEN1KMT2AALDH1A1TSHRGAA
Bromide SCHEMBL11180829 0.98 MEN1 (0.66) MEN1KMT2AALDH1A1TSHRGAA
Bromide SCHEMBL11277318 0.98 MEN1 (0.66) MEN1KMT2AALDH1A1TSHRGAA
SCHEMBL2587982 0.85 MEN1 (0.55) MEN1KMT2AALDH1A1TSHRGAA
SCHEMBL2587984 0.85 MEN1 (0.55) MEN1KMT2AALDH1A1TSHRGAA
SCHEMBL4056952 0.83 MEN1 (0.53) MEN1KMT2AALDH1A1TSHRGAA
SCHEMBL2586777 0.83 KMT2A (0.53) MEN1KMT2AALDH1A1TSHRGAA
SCHEMBL2586772 0.83 KMT2A (0.53) MEN1KMT2AALDH1A1TSHRGAA
SCHEMBL4056949 0.83 MEN1 (0.53) MEN1KMT2AALDH1A1TSHRGAA
SCHEMBL14876942 0.83 MEN1 (0.71) MEN1KMT2AALDH1A1TSHRGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011135303-A2 UBIQUITINATION MODULATORS ITI SCOTLAND LIMITED (GB) 2011-11-03 WO disclosed
WO-2011135303-A2 UBIQUITINATION MODULATORS ITI SCOTLAND LIMITED (GB) 2011-11-03 WO disclosed
EP-0023964-B1 PHENYLIMINOTHIAZOLINE DERIVATIVES, THEIR PREPARATION AND INTERMEDIATES THEREFOR, PHARMACEUTICAL PREPARATIONS CONTAINING THEM AND THEIR PRODUCTION HOECHST AKTIENGESELLSCHAFT (DE) 1983-02-16 EP disclosed
US-4346088-A ANTILIPEMICS HOECHST AKTIENGESELLSCHAFT (DE) 1982-08-24 US disclosed
EP-0023964-A1 Phenyliminothiazoline derivatives, their preparation and intermediates therefor, pharmaceutical preparations containing them and their production HOECHST AKTIENGESELLSCHAFT (DE) 1981-02-18 EP disclosed