SCHEMBL6525575

SCHEMBL6525575

CC(C)(CSc1ccccc1)Nc1c([N+](=O)[O-])cccc1S(N)(=O)=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.47
MEN1 O00255 4/20 0.47
BCL2L1 Q07817 2/20 0.41
BCL2 P10415 1/20 0.41
ALDH1A1 P00352 4/20 0.39
MAPT P10636 3/20 0.39
CA2 P00918 2/20 0.38
CA9 Q16790 1/20 0.38
POLB P06746 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CYP19A1 P11511 1/20 0.37
CA1 P00915 1/20 0.36
MMP1 P03956 1/20 0.36
MMP2 P08253 1/20 0.36
MMP9 P14780 1/20 0.36
MMP8 P22894 1/20 0.36
MMP13 P45452 1/20 0.36
F2 P00734 2/20 0.36
PRSS1 P07477 2/20 0.36
PRSS2 P07478 2/20 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
SCHEMBL6530524 0.81 KMT2A (0.41) KMT2AMEN1BCL2L1ALDH1A1MAPT
SCHEMBL6025517 0.81 KMT2A (0.44) KMT2AMEN1BCL2L1ALDH1A1MAPT
SCHEMBL6026281 0.79 KMT2A (0.42) KMT2AMEN1BCL2L1ALDH1A1MAPT
SCHEMBL1542077 0.79 MAPT (0.58) KMT2AMEN1BCL2L1BCL2ALDH1A1
SCHEMBL6531283 0.78 KMT2A (0.41) KMT2AMEN1BCL2L1ALDH1A1MAPT
SCHEMBL5744699 0.75 BCL2L1 (0.48) KMT2AMEN1BCL2L1BCL2ALDH1A1
SCHEMBL6025521 0.75 KMT2A (0.42) KMT2AMEN1BCL2L1ALDH1A1MAPT
SCHEMBL28873438 0.74 BCL2L1 (0.69) BCL2L1BCL2
SCHEMBL2474106 0.74 BCL2L1 (0.69) BCL2L1BCL2
SCHEMBL6533313 0.73 KMT2A (0.41) KMT2AMEN1ALDH1A1MAPTCA2

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-2005049593-A2 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS ABBOTT LABORATORIES (US) 2005-06-02 WO disclosed