SCHEMBL11117326

SCHEMBL11117326

O=C(O)/C=C1/c2ccccc2C=C(Br)c2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTPRC P08575 1/20 0.38
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34
KMT2A Q03164 1/20 0.34
CDC25A P30304 9/20 0.33
TRPA1 O75762 2/20 0.33
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC10 Q969S8 1/20 0.32
HDAC11 Q96DB2 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
HDAC9 Q9UKV0 1/20 0.32
HDAC5 Q9UQL6 1/20 0.32

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
SCHEMBL11117327 1.00 PTPRC (0.38) PTPRCMEN1MAPTMAPK1KMT2A
SCHEMBL11113798 0.80 TRPA1 (0.35) CDC25ATRPA1
SCHEMBL677773 0.78 MEN1 (0.42) PTPRCMEN1MAPTKMT2ACDC25A
SCHEMBL29454416 0.78 MEN1 (0.42) PTPRCMEN1MAPTKMT2ACDC25A
SCHEMBL130160 0.78 TRPA1 (0.44) CDC25ATRPA1HDAC3HDAC4HDAC1
Maleic Acid SCHEMBL11774758 0.73 LMNA (0.56) MEN1MAPTKMT2A
Fumaric Acid SCHEMBL11774768 0.73 LMNA (0.56) MEN1MAPTKMT2A
Maleic Acid SCHEMBL11774763 0.73 LMNA (0.56) MEN1MAPTKMT2A
SCHEMBL4981378 0.72 MEN1 (0.52) MEN1KMT2A
Oxalic Acid SCHEMBL11728067 0.72 LMNA (0.58) MEN1MAPTKMT2A

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
EP-0115690-A1 Dibenzocycloheptenylidenes AMERICAN HOME PRODUCTS CORPORATION (US) 1984-08-15 EP disclosed