SCHEMBL30964019

SCHEMBL30964019

O=C(O)/C=C/c1ccc2c(cnn2CC2CC2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.46
HDAC2 Q92769 2/20 0.46
PLA2G4A P47712 1/20 0.43
ESR1 P03372 2/20 0.43
RAB9A P51151 1/20 0.41
KMO O15229 1/20 0.39
PIM2 Q9P1W9 2/20 0.39
P4HTM Q9NXG6 1/20 0.39
CRHR1 P34998 1/20 0.39
KDM4E B2RXH2 3/20 0.38
HSD17B10 Q99714 2/20 0.38
MEN1 O00255 1/20 0.38
HDAC3 O15379 1/20 0.38
CA12 O43570 1/20 0.38
AKR1B10 O60218 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
LMNA P02545 1/20 0.38
TTR P02766 1/20 0.38

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
SCHEMBL30964021 0.84 HDAC1 (0.42) HDAC1HDAC2ESR1CRHR1KDM4E
SCHEMBL30964026 0.79 HDAC2 (0.64) HDAC1HDAC2HDAC3HDAC4ADORA2A
SCHEMBL30964025 0.77 HDAC1 (0.47) HDAC1HDAC2ESR1RAB9AMEN1
SCHEMBL30964016 0.77 ALDH1A1 (0.48) HDAC1HDAC2RAB9AKDM4EHSD17B10
SCHEMBL30964024 0.77 HDAC1 (0.47) HDAC1HDAC2ESR1RAB9AMEN1
SCHEMBL31200202 0.73 HDAC1 (0.59) HDAC1HDAC2KMOCRHR1
SCHEMBL15687430 0.72 HDAC1 (0.47) HDAC1HDAC2KMOCRHR1MAPK1
SCHEMBL14816269 0.72 RXRA (0.59) HDAC1HDAC2PLA2G4AESR1RAB9A
SCHEMBL14816270 0.72 RXRA (0.59) HDAC1HDAC2PLA2G4AESR1RAB9A
SCHEMBL2445835 0.72 HDAC1 (0.46) HDAC1HDAC2KMOCRHR1MAPT

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
EP-4634160-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF Certa Therapeutics Pty Ltd (AU) 2025-10-22 EP disclosed
WO-2024124279-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF CERTA THERAPEUTICS PTY LTD (AU) 2024-06-20 WO disclosed