SCHEMBL8045928

SCHEMBL8045928

COCCCn1c(Sc2nccs2)nnc1-c1cccs1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.52
MEN1 O00255 5/20 0.52
KMT2A Q03164 5/20 0.52
KDM4E B2RXH2 5/20 0.48
HTT P42858 4/20 0.48
GAA P10253 3/20 0.48
GLA P06280 2/20 0.48
MAPT P10636 4/20 0.43
MIF P14174 1/20 0.43
LMNA P02545 5/20 0.41
HPGD P15428 3/20 0.41
TP53 P04637 1/20 0.41
POLB P06746 1/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
ALDH1A1 P00352 2/20 0.41
HSD17B10 Q99714 2/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40

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
SCHEMBL8043590 0.85 KDM4E (0.53) TSHRMEN1KMT2AKDM4EHTT
SCHEMBL8044774 0.85 KDM4E (0.43) TSHRMEN1KMT2AKDM4EHTT
SCHEMBL8032454 0.83 TSHR (0.49) TSHRMEN1KMT2AKDM4EHTT
SCHEMBL8050300 0.81 KDM4E (0.40) TSHRMEN1KMT2AKDM4EHTT
SCHEMBL8046525 0.81 TSHR (0.49) TSHRMEN1KMT2AKDM4EHTT
SCHEMBL4214420 0.81 MEN1 (0.62) TSHRMEN1KMT2AKDM4EHTT
SCHEMBL8043767 0.81 KDM4E (0.49) TSHRMEN1KMT2AKDM4EHTT
SCHEMBL8047245 0.81 KDM4E (0.54) TSHRMEN1KMT2AKDM4EHTT
SCHEMBL8045746 0.80 KMT2A (0.53) TSHRMEN1KMT2AKDM4EHTT
SCHEMBL8044858 0.80 TSHR (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