SCHEMBL30423331

SCHEMBL30423331

CN(N)C(=O)c1nccnc1-c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
PDE10A Q9Y233 1/20 0.40
HCRTR1 O43613 3/20 0.37
HCRTR2 O43614 3/20 0.37
KDM4E B2RXH2 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
LMNA P02545 1/20 0.37
ATR Q13535 1/20 0.36
ATM Q13315 1/20 0.36
CKS1B P61024 1/20 0.36
SKP1 P63208 1/20 0.36
SKP2 Q13309 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
SCHEMBL25215276 1.00 SLC22A12 (0.43) SLC22A12MEN1KMT2APDE10AHCRTR1
SCHEMBL30280438 0.78 SLC22A12 (0.49) SLC22A12PDE10AHCRTR1HCRTR2KDM4E
SCHEMBL3468178 0.78 ADORA2A (0.50) SLC22A12MEN1KMT2APDE10AKDM4E
SCHEMBL1340669 0.77 KDM4E (0.53) SLC22A12PDE10AKDM4ESMN1; SMN2LMNA
SCHEMBL25256041 0.76 ALDH1A1 (0.37) SLC22A12MEN1KMT2APDE10AHCRTR1
SCHEMBL30423687 0.76 ALDH1A1 (0.37) SLC22A12MEN1KMT2APDE10AHCRTR1
SCHEMBL10419666 0.74 KDM4E (0.50) SLC22A12PDE10AKDM4ESMN1; SMN2LMNA
SCHEMBL25245831 0.73 SMN1; SMN2 (0.59) SLC22A12MEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL25245065 0.73 GAA (0.50) SLC22A12MEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL25570920 0.73 NPSR1 (0.50) SLC22A12PDE10AKDM4ESMN1; SMN2ATR

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
WO-2023097386-A1 SELECTIVE HDAC6-INHIBITING N-ACYLHYDRAZONE COMPOUNDS, METHODS FOR PRODUCING SAME, COMPOSITIONS, USES, TREATMENT METHODS AND KITS EUROFARMA LABORATÓRIOS S.A (BR) 2023-06-08 WO claimed
WO-2023097386-A1 SELECTIVE HDAC6-INHIBITING N-ACYLHYDRAZONE COMPOUNDS, METHODS FOR PRODUCING SAME, COMPOSITIONS, USES, TREATMENT METHODS AND KITS EUROFARMA LABORATÓRIOS S.A (BR) 2023-06-08 WO disclosed