SCHEMBL4307699

SCHEMBL4307699

O=CC(Br)c1ccc(C(=O)CBr)cc1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 13/20 0.52
▸ PTPN1 P18031 6/20 0.52
▸ USP5 P45974 1/20 0.36
▸ KMT2A Q03164 1/20 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
SCHEMBL753074 0.91 GSK3B (0.50) GSK3BPTPN1KMT2A
SCHEMBL1758965 0.82 PTPN1 (0.51) GSK3BPTPN1
SCHEMBL27865128 0.80 GSK3B (0.50) GSK3BPTPN1USP5KMT2AHDAC3
SCHEMBL27771167 0.79 TSHR (0.50) KMT2A
SCHEMBL695598 0.77 GSK3B (0.43) GSK3BPTPN1KMT2A
SCHEMBL205280 0.77 GSK3B (0.80) GSK3BPTPN1HDAC3HDAC4HDAC1
SCHEMBL27992615 0.77 PARP10 (0.42) KMT2A
SCHEMBL17873488 0.75 PTPN1 (0.61) GSK3BPTPN1USP5
SCHEMBL182091 0.75 USP5 (0.61) GSK3BPTPN1USP5
SCHEMBL4329868 0.74 ALDH1A1 (0.52) KMT2A

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
WO-2009121535-A2 ANTIPROLIFERATIVE COMPOUNDS AND THERAPEUTIC USES THEREOF UNIVERSITA`DEGLI STUDI DI MILANO - BICOCCA (IT) 2009-10-08 — — WO disclosed
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