SCHEMBL6025286

SCHEMBL6025286

CCC(C)(Nc1ccc(N(C)C)c([N+](=O)[O-])c1S(N)(=O)=O)Sc1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BCL2L1 Q07817 1/20 0.35
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
CA12 O43570 1/20 0.32
CA4 P22748 1/20 0.32
CA9 Q16790 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30
CA7 P43166 1/20 0.30
CA13 Q8N1Q1 1/20 0.30

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
SCHEMBL6025611 0.90 BCL2L1 (0.35) BCL2L1CA2CA4MEN1KMT2A
SCHEMBL6533301 0.90 BCL2L1 (0.36) BCL2L1CA1CA2CA12CA4
SCHEMBL6025032 0.81 KMT2A (0.41) BCL2L1CA1CA12CA9MEN1
SCHEMBL6532196 0.74 LMNA (0.39) CA1CA2CA12MEN1KMT2A
SCHEMBL6470754 0.72 CA2 (0.45) CA1CA2CA12CA9CA7
SCHEMBL6025517 0.71 KMT2A (0.44) BCL2L1CA1CA2CA9MEN1
SCHEMBL6530524 0.65 KMT2A (0.41) BCL2L1CA1CA2CA12CA9
SCHEMBL6530534 0.64 PTGES2 (0.39) CA1CA2CA12CA9CA7
SCHEMBL6026281 0.63 KMT2A (0.42) BCL2L1CA1CA2CA9MEN1
SCHEMBL6531283 0.62 KMT2A (0.41) BCL2L1CA1CA2CA12CA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109535155-B Apoptosis-inducing agents for the treatment of cancer and immune and autoimmune diseases 艾伯维公司 2022-07-12 CN disclosed
EP-3080132-A1 BROMODOMAIN INHIBITORS AbbVie Inc. (US) 2016-10-19 EP disclosed
WO-2015085925-A1 BROMODOMAIN INHIBITORS ABBVIE INC. (US) 2015-06-18 WO disclosed
EP-1685119-A1 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS Abbott Laboratories (US) 2006-08-02 EP disclosed
WO-2005049593-A2 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS ABBOTT LABORATORIES (US) 2005-06-02 WO disclosed
WO-2005049594-A1 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS ABBOTT LABORATORIES (US) 2005-06-02 WO disclosed