SCHEMBL28892272

SCHEMBL28892272

O=C1C=C(N(Cc2ccc(Cl)nc2)Cc2ccc(Cl)c(F)c2)CO1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 1/20 0.34
KCNQ2 O43526 1/20 0.34
KCNE1 P15382 1/20 0.34
KCNQ1 P51787 1/20 0.34
HDAC1 Q13547 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
HDAC5 Q9UQL6 1/20 0.32
MDM2 Q00987 1/20 0.32
PDE1B Q01064 2/20 0.31
CTSL P07711 3/20 0.31
GBA1 P04062 1/20 0.31
DYRK1A Q13627 1/20 0.30
CLK4 Q9HAZ1 1/20 0.30
KDM1A O60341 1/20 0.30

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
SCHEMBL28892266 0.92 MDM2 (0.34) KCNQ3KCNQ2KCNE1KCNQ1HDAC1
SCHEMBL28892256 0.91 KCNQ3 (0.34) KCNQ3KCNQ2KCNE1KCNQ1HDAC1
SCHEMBL28892406 0.90 HDAC1 (0.33) HDAC1HDAC6HDAC5MDM2KDM1A
SCHEMBL28892248 0.90 GBA1 (0.37) GBA1
SCHEMBL28892391 0.88 CTSL (0.34) MDM2CTSLKDM1A
SCHEMBL28892338 0.87 IDO1 (0.34) MDM2PDE1BCTSLKDM1A
SCHEMBL28892351 0.87 MDM2 (0.34) KCNQ3KCNQ2KCNE1KCNQ1HDAC1
SCHEMBL28892254 0.86 MDM2 (0.34) KCNQ3KCNQ2KCNE1KCNQ1MDM2
SCHEMBL28892353 0.86 MDM2 (0.33) KCNQ3KCNQ2HDAC1HDAC6HDAC5
SCHEMBL28892262 0.86 OXTR (0.36) HDAC1HDAC6HDAC5MDM2CTSL

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-108558841-B 4- (N, N-disubstituted) furan-2 (5H) -ketone derivative, preparation method and application thereof 贵州大学 2022-04-12 CN disclosed