SCHEMBL8044858

SCHEMBL8044858

COCCCn1c(Sc2ncc(S(C)(=O)=O)s2)nnc1-c1cccs1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.49
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
KDM4E B2RXH2 5/20 0.43
HTT P42858 4/20 0.43
GAA P10253 3/20 0.43
GLA P06280 2/20 0.43
MIF P14174 1/20 0.40
MAPT P10636 4/20 0.39
HPGD P15428 3/20 0.38
ALDH1A1 P00352 1/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
HSD17B10 Q99714 1/20 0.38
LMNA P02545 5/20 0.38
ADORA2A P29274 1/20 0.37
ADORA2B P29275 1/20 0.37
TP53 P04637 1/20 0.37
POLB P06746 1/20 0.37
CYP3A4 P08684 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
SCHEMBL8051692 0.88 KDM4E (0.38) TSHRMEN1KMT2AKDM4EHTT
SCHEMBL8045950 0.87 MEN1 (0.38) TSHRMEN1KMT2AKDM4EHTT
SCHEMBL8032454 0.85 TSHR (0.49) TSHRMEN1KMT2AKDM4EHTT
SCHEMBL8051906 0.84 RAB9A (0.45) TSHRMEN1KMT2AKDM4EHTT
SCHEMBL8045746 0.83 KMT2A (0.53) TSHRMEN1KMT2AKDM4EHTT
SCHEMBL8051552 0.83 KDM4E (0.53) TSHRMEN1KMT2AKDM4EGAA
SCHEMBL8044740 0.83 MEN1 (0.48) TSHRMEN1KMT2AKDM4EHTT
SCHEMBL8045928 0.80 TSHR (0.52) TSHRMEN1KMT2AKDM4EHTT
SCHEMBL8044044 0.79 KMT2A (0.45) TSHRMEN1KMT2AKDM4EHTT
SCHEMBL8047835 0.79 KMT2A (0.49) TSHRMEN1KMT2AKDM4EHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6080772-A 2-AMINOTHIAZOLE TRIAZOLE OR TETRAZOLE COMPOUND FOR REGULATING PROTEIN TYROSINE PHOSPHATASE ACTIVITY SUGEN, INC. (US) 2000-06-27 US disclosed