SCHEMBL29185331

SCHEMBL29185331

N#Cc1c(OC(N)=O)cc(Br)c2c1CCO2

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
XDH P47989 2/20 0.32
PARP1 P09874 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
HSD17B10 Q99714 1/20 0.30
SLC22A12 Q96S37 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
SCHEMBL30364099 0.75 MAPKAPK2 (0.36) KDM4EALDH1A1HPGDHSD17B10
SCHEMBL26522281 0.75 MAPKAPK2 (0.36) KDM4EALDH1A1HPGDHSD17B10
SCHEMBL29159708 0.72 KDM4E (0.37) PARP1KDM4EALDH1A1HSD17B10
SCHEMBL26522301 0.72 ALDH1A1 (0.34) KDM4EALDH1A1HPGDHSD17B10
SCHEMBL30363764 0.69 AAK1 (0.35) HPGD
SCHEMBL26532853 0.69 AAK1 (0.35) HPGD
SCHEMBL27221599 0.66 MAPKAPK2 (0.36) KDM4EALDH1A1HPGDHSD17B10
SCHEMBL29010984 0.65 HDAC3 (0.38) PARP1HPGD
SCHEMBL27221553 0.65 XDH (0.34) XDHHPGDSLC22A12
SCHEMBL28947251 0.64 KDM4E (0.44) KDM4EALDH1A1HPGDHSD17B10

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-116234797-A Heterocyclic inhibitors of TEAD for the treatment of cancer 基因泰克公司 2023-06-06 CN disclosed