SCHEMBL30152285

SCHEMBL30152285

Nc1ccc(OCC2CCC(F)(F)CC2)c2ocnc12

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KDM5A P29375 1/20 0.35
▸ KDM4C Q9H3R0 1/20 0.35
▸ KDM5B Q9UGL1 1/20 0.35
▸ MCHR1 Q99705 4/20 0.33
▸ LRRK2 Q5S007 4/20 0.33
▸ SCN9A Q15858 5/20 0.32
▸ SCN5A Q14524 3/20 0.32
▸ HTR2A P28223 2/20 0.32
▸ HTR2C P28335 2/20 0.32
▸ HTR2B P41595 2/20 0.32
▸ CNR2 P34972 1/20 0.31
▸ DHFR P00374 1/20 0.31
▸ DCPS Q96C86 1/20 0.31

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
SCHEMBL24969547 1.00 KDM5A (0.35) KDM5AKDM4CKDM5BMCHR1LRRK2
SCHEMBL24969545 0.85 KDM5A (0.35) KDM5AKDM4CKDM5BLRRK2SCN9A
SCHEMBL30152345 0.85 KDM5A (0.35) KDM5AKDM4CKDM5BLRRK2SCN9A
SCHEMBL24968804 0.77 CDK2 (0.42) KDM5AKDM4CKDM5BMCHR1LRRK2
SCHEMBL30152341 0.77 CDK2 (0.42) KDM5AKDM4CKDM5BMCHR1LRRK2
SCHEMBL24969039 0.76 MAPK3 (0.38) KDM5AKDM4CKDM5BSCN9ASCN5A
SCHEMBL30152334 0.76 MAPK3 (0.38) KDM5AKDM4CKDM5BSCN9ASCN5A
SCHEMBL30152244 0.74 SCN9A (0.35) KDM5AKDM4CKDM5BLRRK2SCN9A
SCHEMBL24969549 0.74 SCN9A (0.35) KDM5AKDM4CKDM5BLRRK2SCN9A
SCHEMBL20554482 0.73 HSP90AA1 (0.40) KDM5AKDM4CKDM5BMCHR1HTR2C

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-2023009785-A1 TEAD INHIBITORS AND USES THEREOF CEDILLA THERAPEUTICS, INC. (US) 2023-02-02 — — WO disclosed
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