SCHEMBL8559958

SCHEMBL8559958

N=C(N)NCCCS(=O)(=O)c1cccc(Br)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.43
ALOX15 P16050 1/20 0.39
C1S P09871 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
KMT2A Q03164 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
HSD11B1 P28845 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HDAC9 Q9UKV0 1/20 0.36

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
SCHEMBL8558350 0.96 ATM (0.42) ATMALOX15C1SL3MBTL1KMT2A
SCHEMBL17364184 0.79 ATM (0.45) ATML3MBTL1KMT2ACA2HSD11B1
SCHEMBL4017159 0.79 TAAR1 (0.46) ATML3MBTL1HDAC3HDAC4HDAC1
SCHEMBL8559623 0.79 HDAC1 (0.50) ALOX15L3MBTL1KMT2ACA12CA1
SCHEMBL1369364 0.76 CA2 (0.50) ATML3MBTL1CA2HSD11B1HDAC3
SCHEMBL4013557 0.76 ATM (0.43) ATML3MBTL1HDAC3HDAC4HDAC1
SCHEMBL2443608 0.75 CA2 (0.51) ATML3MBTL1CA2HSD11B1HDAC3
SCHEMBL8557126 0.75 PLCG1 (0.47) ALOX15CA12CA1CA2CA9
SCHEMBL2555899 0.75 ATM (0.42) ATML3MBTL1KMT2AHSD11B1HDAC3
SCHEMBL1710715 0.73 ATM (0.41) ATML3MBTL1CA12CA1CA2

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-0832076-A1 NOVEL ISOXAZOLINE AND ISOXAZOLE FIBRINOGEN RECEPTOR ANTAGONISTS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1998-04-01 EP disclosed