SCHEMBL22148384

SCHEMBL22148384

O=C(O)c1cc(-c2ccc(F)cc2F)ccc1Cl

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 2/20 0.70
ALDH1A1 P00352 2/20 0.70
ACMSD Q8TDX5 2/20 0.70
KDM4E B2RXH2 1/20 0.70
MEN1 O00255 1/20 0.70
USP2 O75604 1/20 0.70
DHFR P00374 1/20 0.70
CA1 P00915 1/20 0.70
CA2 P00918 1/20 0.70
LMNA P02545 1/20 0.70
ALB P02768 1/20 0.70
HMGB1 P09429 1/20 0.70
HPGD P15428 1/20 0.70
CXCL12 P48061 1/20 0.70
KMT2A Q03164 1/20 0.70
HIF1A Q16665 1/20 0.70
SLC22A6 Q4U2R8 1/20 0.70
HSD17B10 Q99714 1/20 0.70
EIF4E P06730 6/20 0.55
TP53 P04637 1/20 0.51

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
SCHEMBL4652620 0.88 TTR (0.66) TTRALDH1A1ACMSDKDM4EMEN1
Diflunisal SCHEMBL4337 0.83 ACMSD (1.00) TTRALDH1A1ACMSDKDM4EMEN1
Diflunisal SCHEMBL30509654 0.83 ACMSD (1.00) TTRALDH1A1ACMSDKDM4EMEN1
SCHEMBL18096517 0.83 TTR (0.72) TTRALDH1A1ACMSDKDM4EMEN1
Diflunisal SCHEMBL3848363 0.83 ACMSD (1.00) TTRALDH1A1ACMSDKDM4EMEN1
Diflunisal SCHEMBL29367380 0.83 ACMSD (1.00) TTRALDH1A1ACMSDKDM4EMEN1
SCHEMBL3143118 0.82 ALDH1A1 (0.49) TTRALDH1A1ACMSDKDM4EMEN1
SCHEMBL505466 0.82 TTR (0.71) TTRALDH1A1ACMSDKDM4EMEN1
SCHEMBL3128937 0.82 GRIK1 (0.55) ALDH1A1ACMSDKDM4EMEN1DHFR
Diflunisal SCHEMBL20876816 0.81 ACMSD (0.97) TTRALDH1A1ACMSDKDM4EMEN1

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
WO-2020128529-A1 COMPOSITIONS AND USES THEREOF BENEVOLENTAI BIO LIMITED (GB) 2020-06-25 WO disclosed