SCHEMBL6533301

SCHEMBL6533301

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

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BCL2L1 Q07817 1/20 0.36
MAPT P10636 3/20 0.32
POLB P06746 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
CA1 P00915 2/20 0.31
CA2 P00918 2/20 0.31
CA12 O43570 1/20 0.31
CA4 P22748 1/20 0.31
CA9 Q16790 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CA7 P43166 1/20 0.31
CA13 Q8N1Q1 1/20 0.31
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
HTT P42858 1/20 0.30
DOT1L Q8TEK3 1/20 0.30
PKM P14618 1/20 0.30
CYP19A1 P11511 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
SCHEMBL6025286 0.90 BCL2L1 (0.35) BCL2L1MAPTPOLBTDP1CA1
SCHEMBL6025611 0.81 BCL2L1 (0.35) BCL2L1CA2CA4DOT1L
SCHEMBL6530524 0.70 KMT2A (0.41) BCL2L1MAPTPOLBTDP1CA1
SCHEMBL6025032 0.69 KMT2A (0.41) BCL2L1MAPTPOLBTDP1CA1
SCHEMBL6532196 0.63 LMNA (0.39) MAPTPOLBCA1CA2CA12
SCHEMBL6025517 0.62 KMT2A (0.44) BCL2L1MAPTPOLBTDP1CA1
SCHEMBL6530526 0.60 KMT2A (0.51) MAPTCA1CA2ALDH1A1LMNA
SCHEMBL2943101 0.60 MAPT (0.55) BCL2L1MAPTPOLBTDP1SMN1; SMN2
SCHEMBL6470754 0.59 CA2 (0.45) CA1CA2CA12CA9CA7
SCHEMBL1131516 0.59 ALDH1A1 (0.45) POLBTDP1CA1CA2CA12

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