SCHEMBL2858258

SCHEMBL2858258

COC(=O)[C@H](C)N(C(=O)OC(C)(C)C)c1ccc(-c2cccs2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 12/20 0.42
HDAC2 Q92769 10/20 0.42
HDAC3 O15379 8/20 0.42
GPR119 Q8TDV5 1/20 0.41
HDAC6 Q9UBN7 2/20 0.39
ABL1 P00519 1/20 0.39
BCR P11274 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GABRA1 P14867 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA5 P31644 1/20 0.38
GABRA3 P34903 1/20 0.38
GABRA2 P47869 1/20 0.38
GABRA6 Q16445 1/20 0.38
SLC6A4 P31645 1/20 0.38

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
SCHEMBL7308442 0.83 KMT2A (0.41) MEN1MAPTKMT2APAX8
SCHEMBL7446003 0.83 KMT2A (0.41) MEN1MAPTKMT2APAX8
SCHEMBL2861381 0.81 XBP1 (0.37) MEN1KMT2APAX8
SCHEMBL2855207 0.81 ITGA4 (0.37) MEN1MAPTKMT2ASMN1; SMN2PAX8
SCHEMBL8380101 0.80 KMT2A (0.45) MEN1MAPTKMT2ASMN1; SMN2
SCHEMBL7439074 0.80 GPR119 (0.43) HDAC1HDAC2HDAC3GPR119HDAC6
SCHEMBL2855171 0.79 XDH (0.39) HDAC1HDAC6KDM4EMEN1MAPT
SCHEMBL7479568 0.78 MT-CO2 (0.46) KDM4EMEN1MAPTKMT2A
SCHEMBL7479440 0.78 MT-CO2 (0.46) KDM4EMEN1MAPTKMT2A
SCHEMBL8909415 0.78 KMT2A (0.40) HDAC6MEN1KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1346971-B1 Production method for biarylalanine SUMITOMO CHEMICAL CO (JP) 2010-01-20 EP disclosed
EP-1346971-A1 Production method for biarylalanine SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-09-24 EP disclosed