SCHEMBL6532196

SCHEMBL6532196

CCC(C)(Nc1cc([N+](=O)[O-])ccc1S(N)(=O)=O)Sc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.39
S1PR4 O95977 1/20 0.39
RAB9A P51151 1/20 0.39
MEN1 O00255 7/20 0.39
KMT2A Q03164 7/20 0.39
ALDH1A1 P00352 6/20 0.39
HPGD P15428 3/20 0.39
CYP1A2 P05177 3/20 0.38
CYP3A4 P08684 3/20 0.38
CYP2C9 P11712 3/20 0.38
CYP2D6 P10635 2/20 0.38
CYP2C19 P33261 2/20 0.38
MAPK1 P28482 2/20 0.38
HIF1A Q16665 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
GAA P10253 2/20 0.38
THRB P10828 1/20 0.38
HTT P42858 1/20 0.38
CA12 O43570 1/20 0.37
GUSB P08236 1/20 0.37

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
SCHEMBL6470754 0.81 CA2 (0.45) CA12CA2CA1CA5A
SCHEMBL6025032 0.78 KMT2A (0.41) LMNAMEN1KMT2AALDH1A1CYP2C9
SCHEMBL6025517 0.77 KMT2A (0.44) MEN1KMT2AALDH1A1THRBMAPT
SCHEMBL6025286 0.74 BCL2L1 (0.35) MEN1KMT2ACA12MAPTCA2
SCHEMBL6532201 0.72 POLB (0.42) LMNAMEN1KMT2AALDH1A1HPGD
SCHEMBL6468789 0.72 KMT2A (0.52) LMNAMEN1KMT2AALDH1A1L3MBTL1
SCHEMBL6025780 0.70 PTGES2 (0.39) ALDH1A1GAACA12CA2CA1
SCHEMBL6530534 0.70 PTGES2 (0.39) CA12CA2CA1CA5A
SCHEMBL6026281 0.69 KMT2A (0.42) MEN1KMT2AALDH1A1THRBMAPT
SCHEMBL6530524 0.68 KMT2A (0.41) MEN1KMT2AALDH1A1THRBCA12

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