SCHEMBL9401780

SCHEMBL9401780

Cc1cc(O)n(CCO)c(=O)c1NC=O

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
KDM4E B2RXH2 2/20 0.41
HSD17B10 Q99714 1/20 0.36
ALDH1A1 P00352 2/20 0.34
LMNA P02545 2/20 0.34
MAPT P10636 3/20 0.34
GAA P10253 1/20 0.33
HTT P42858 1/20 0.32

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
SCHEMBL4650114 0.87 LMNA (0.30) LMNA
SCHEMBL6542299 0.85 CNR2 (0.38) MEN1KMT2AKDM4EALDH1A1LMNA
SCHEMBL9401793 0.84 KDM4E (0.39) KDM4EALDH1A1LMNA
SCHEMBL9401958 0.79 TTR (0.31)
SCHEMBL11313240 0.78 KMT2A (0.45) MEN1KMT2AKDM4EHSD17B10ALDH1A1
SCHEMBL11423008 0.77 MEN1 (0.47) MEN1KMT2AKDM4EHSD17B10ALDH1A1
SCHEMBL7891026 0.74 MEN1 (0.42) MEN1KMT2AKDM4EHSD17B10ALDH1A1
SCHEMBL4801776 0.73 KDM4E (0.68) MEN1KMT2AKDM4EHSD17B10ALDH1A1
SCHEMBL11429004 0.73 KDM4E (0.44) MEN1KMT2AKDM4EHSD17B10ALDH1A1
SCHEMBL11431964 0.72 KMT2A (0.43) MEN1KMT2AKDM4EHSD17B10ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5278292-A Aromatic sulfonyl water-soluble color materials HOECHST AKTIENGESELLSCHAFT (DE) 1994-01-11 US disclosed
US-5231172-A Water solubility HOECHST AKTIENGESELLSCHAFT (DE) 1993-07-27 US disclosed
US-5227475-A WATER-SOLUBLE FIBER-REACTIVE DYESTUFFS CONTAINING A CYANAMIDO-SUBSTITUTED TRIAZINYLAMINO-GROUPING, AND A PROCESS FOR DYEING WITH THE USE OF THESE DYES HOECHST AKTIENGESELLSCHAFT (DE) 1993-07-13 US disclosed
US-5128455-A WATER-SOLUBLE FIBER-REACTIVE DYES, CONTAINING AN AMINO-SUBSTITUTED 5-TRIAZINE RING WITH A FIBER-REACTIVE GROUP OF THE VINYLSULFONE SERIES HOECHST AKTIENGESELLSCHAFT (DE) 1992-07-07 US disclosed
US-5021558-A Color strength, fastness HOECHST AKTIENGESELLSCHAFT (DE) 1991-06-04 US disclosed
US-5003049-A Fiber-Reactive Dyes for Hydroxy Textiles BASF AKTIENGESELLSCHAFT (DE) 1991-03-26 US disclosed
US-4873320-A COLORFASTNESS; FOR COTTON AND CELLULOSE FIBER MATERIALS HOECHST AKTIENGESELLSCHAFT (DE) 1989-10-10 US disclosed
US-4677199-A Reactive dyes containing substituted 4-fluoropyridaz-6-one radicals BASF AKTIENGESELLSCHAFT (DE) 1987-06-30 US disclosed