SCHEMBL5274387

SCHEMBL5274387

O=C(O)c1ccc(-c2csc(NCCc3ccc(C(F)(F)P(=O)(O)O)c(Br)c3)n2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.46
KMT2A Q03164 5/20 0.46
NPC1 O15118 5/20 0.46
RAB9A P51151 5/20 0.46
POLB P06746 1/20 0.46
SMN1; SMN2 Q16637 6/20 0.44
MAPT P10636 5/20 0.44
ALDH1A1 P00352 4/20 0.44
LMNA P02545 1/20 0.44
GAA P10253 2/20 0.44
KDM4E B2RXH2 2/20 0.44
HTT P42858 1/20 0.44
PTPN2 P17706 2/20 0.42
PTPN1 P18031 2/20 0.42
CSNK2A1 P68400 2/20 0.41
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
L3MBTL1 Q9Y468 1/20 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
SCHEMBL4956185 0.91 HDAC3 (0.47) MEN1KMT2ANPC1RAB9APOLB
SCHEMBL4957248 0.79 PTPN1 (0.45) MEN1KMT2ANPC1RAB9APOLB
SCHEMBL4955427 0.79 PTPN1 (0.42) MEN1KMT2ARAB9APOLBMAPT
SCHEMBL4959285 0.78 GCGR (0.50) PTPN2PTPN1
SCHEMBL4955075 0.77 PTPN1 (0.45) MEN1KMT2ARAB9AMAPTALDH1A1
SCHEMBL4954925 0.77 PTPN1 (0.47) MEN1KMT2ANPC1RAB9APOLB
SCHEMBL4955538 0.76 PTPN1 (0.52) PTPN2PTPN1
SCHEMBL4957353 0.75 GCGR (0.56) PTPN2PTPN1
SCHEMBL4957709 0.74 GCGR (0.48) MEN1KMT2ANPC1RAB9AKDM4E
SCHEMBL4955860 0.74 GCGR (0.41) MEN1KMT2ANPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1841749-A1 DERIVATIVES OF THIAZOLE AND THIADIAZOLE INHIBITORS OF TYROSINE PHOSPHATASES Metabasis Therapeutics, Inc. (US) 2007-10-10 EP claimed
WO-2006028970-A1 DERIVATIVES OF THIAZOLE AND THIADIAZOLE INHIBITORS OF TYROSINE PHOSPHATASES CENGENT THERAPEUTICS, INC. (US) 2006-03-16 WO claimed