SCHEMBL8045950

SCHEMBL8045950

CN(C)CCCn1c(Sc2ncc(S(C)(=O)=O)s2)nnc1-c1cccs1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
KDM4E B2RXH2 2/20 0.38
TSHR P16473 6/20 0.36
NPC1 O15118 4/20 0.36
RAB9A P51151 4/20 0.36
MIF P14174 1/20 0.36
RECQL P46063 1/20 0.36
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
ALDH1A1 P00352 4/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
GAA P10253 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MAPT P10636 1/20 0.35

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) MEN1KMT2AKDM4ETSHRNPC1
SCHEMBL8044858 0.87 TSHR (0.49) MEN1KMT2AKDM4ETSHRNPC1
SCHEMBL8051653 0.85 TSHR (0.41) MEN1KMT2AKDM4ETSHRNPC1
SCHEMBL8051906 0.84 RAB9A (0.45) MEN1KMT2AKDM4ETSHRNPC1
SCHEMBL8046882 0.83 RECQL (0.41) MEN1KMT2AKDM4ETSHRNPC1
SCHEMBL8051552 0.83 KDM4E (0.53) MEN1KMT2AKDM4ETSHRNPC1
SCHEMBL8045332 0.83 NPC1 (0.46) MEN1KMT2AKDM4ETSHRNPC1
SCHEMBL8044774 0.80 KDM4E (0.43) MEN1KMT2AKDM4ETSHRNPC1
SCHEMBL8044738 0.79 CSNK1D (0.39) MEN1KMT2AKDM4ENPC1RAB9A
SCHEMBL8042759 0.78 NPC1 (0.43) MEN1KMT2AKDM4ETSHRNPC1

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