SCHEMBL29066845

SCHEMBL29066845

Cc1ccc2c(c1)C2.O=[SH](=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 2/20 0.44
MAPT P10636 3/20 0.39
RAB9A P51151 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
PKM P14618 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NOTUM Q6P988 1/20 0.37
ACHE P22303 1/20 0.36
NPC1 O15118 1/20 0.35
PARP10 Q53GL7 2/20 0.35
PARP11 Q9NR21 1/20 0.35
PARP1 P09874 1/20 0.35
PDE5A O76074 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
TRPA1 O75762 1/20 0.34
AADAT Q8N5Z0 2/20 0.34

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
SCHEMBL31196693 0.86 METAP1 (0.48) METAP1MAPTRAB9AKDM4EALDH1A1
SCHEMBL6901119 0.86 METAP1 (0.48) METAP1MAPTRAB9AKDM4EALDH1A1
SCHEMBL6905206 0.86 METAP1 (0.48) METAP1MAPTRAB9AKDM4EALDH1A1
SCHEMBL6907672 0.79 ALDH1A1 (0.50) METAP1MAPTRAB9AKDM4EALDH1A1
SCHEMBL6584911 0.77 METAP1 (0.52) METAP1MAPTRAB9AKDM4EALDH1A1
SCHEMBL6905898 0.77 ALDH1A1 (0.47) METAP1MAPTRAB9AKDM4EALDH1A1
SCHEMBL29232849 0.77 METAP1 (0.50) METAP1MAPTRAB9AKDM4EALDH1A1
SCHEMBL17460809 0.74 ALDH1A1 (0.48) METAP1MAPTRAB9AKDM4EALDH1A1
SCHEMBL6903501 0.74 KDM4E (0.50) METAP1MAPTRAB9AKDM4EALDH1A1
SCHEMBL15308827 0.74 ALDH1A1 (0.48) METAP1MAPTRAB9AKDM4EALDH1A1

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
CN-116693478-A Method for preparing 2,3-benzofuran by using halogen acid catalytic furoic acid one-pot method 浙江大学 2023-09-05 CN disclosed