SCHEMBL22317331

SCHEMBL22317331

CS(=O)(=O)c1ccc(C(=O)O)cc1Cn1cccn1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.55
HDAC1 Q13547 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
KDM5A P29375 2/20 0.41
KDM4C Q9H3R0 2/20 0.41
KDM5B Q9UGL1 2/20 0.41
KDM2B Q8NHM5 1/20 0.41
MEN1 O00255 1/20 0.40
TSHR P16473 1/20 0.40
KMT2A Q03164 1/20 0.40
BRPF1 P55201 1/20 0.38
BRD4 O60885 1/20 0.37
NOS3 P29474 1/20 0.37
NOS1 P29475 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
LMNA P02545 1/20 0.36
KAT7 O95251 1/20 0.36

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
SCHEMBL4354266 0.79 HTT (0.56) HTTHDAC1HDAC6MEN1TSHR
SCHEMBL31691458 0.78 HTT (0.55) HTTHDAC1HDAC6KDM5AKDM4C
SCHEMBL31691247 0.76 HTT (0.60) HTTHDAC1HDAC6KDM5AKDM4C
SCHEMBL31691283 0.76 HTT (0.60) HTTHDAC1HDAC6KDM5AKDM4C
SCHEMBL31691462 0.76 HTT (0.60) HTTHDAC1HDAC6KDM5AKDM4C
SCHEMBL31691366 0.76 HTT (0.60) HTTHDAC1HDAC6KDM5AKDM4C
SCHEMBL31691461 0.76 HTT (0.56) HTTHDAC1HDAC6KDM5AKDM4C
SCHEMBL31172762 0.76 HTT (0.56) HTTHDAC1HDAC6MEN1TSHR
SCHEMBL31172671 0.76 HTT (0.56) HTTHDAC1HDAC6MEN1TSHR
SCHEMBL31691315 0.75 HTT (0.55) HTTHDAC1HDAC6KDM5AKDM4C

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-2020156106-A1 HETEROCYCLIC ARYL FORMAMIDES OR SALT THEREOF, PREPARATION METHOD, WEEDING COMPOSITION, AND APPLICATION 青岛清原化合物有限公司 2020-08-06 WO disclosed