SCHEMBL28824490

SCHEMBL28824490

Nc1cc(CBr)cc(C(=O)O)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
ALDH1A1 P00352 2/20 0.42
LMNA P02545 2/20 0.42
DDO Q99489 1/20 0.42
TPMT P51580 3/20 0.40
TTR P02766 2/20 0.38
CES2 O00748 1/20 0.37
CES1 P23141 1/20 0.37
CA12 O43570 3/20 0.37
CA1 P00915 3/20 0.37
CA2 P00918 3/20 0.37
CA7 P43166 3/20 0.37
CA9 Q16790 3/20 0.37
CA14 Q9ULX7 3/20 0.37
FOLH1 Q04609 1/20 0.36
CA3 P07451 2/20 0.35
CA4 P22748 2/20 0.35
CA6 P23280 2/20 0.35

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
SCHEMBL1866724 0.85 TTR (0.44) KDM4EMEN1KMT2AALDH1A1LMNA
SCHEMBL2226759 0.85 TTR (0.44) KDM4EMEN1KMT2AALDH1A1LMNA
SCHEMBL1683777 0.83 ALDH1A1 (0.45) KDM4EMEN1KMT2AALDH1A1LMNA
SCHEMBL31454166 0.83 ALDH1A1 (0.45) KDM4EMEN1KMT2AALDH1A1LMNA
SCHEMBL7770944 0.82 KDM4E (0.44) KDM4EMEN1KMT2AALDH1A1LMNA
SCHEMBL7589533 0.82 TPMT (0.46) KDM4EMEN1KMT2AALDH1A1LMNA
SCHEMBL32679274 0.80 ALDH1A1 (0.50) KDM4EMEN1KMT2AALDH1A1LMNA
SCHEMBL2725031 0.80 ALDH1A1 (0.50) KDM4EMEN1KMT2AALDH1A1LMNA
SCHEMBL10605792 0.80 LMNA (0.42) KDM4EMEN1KMT2AALDH1A1LMNA
Hydrochloric Acid SCHEMBL7596506 0.80 TPMT (0.45) KDM4EMEN1KMT2AALDH1A1LMNA

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-105102432-A Substituted benzene compounds EPIZYME INC 2015-11-25 CN disclosed