SCHEMBL6532201

SCHEMBL6532201

CC(CCNc1cc([N+](=O)[O-])ccc1S(N)(=O)=O)Sc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.42
MEN1 O00255 7/20 0.41
KMT2A Q03164 7/20 0.41
MAPT P10636 6/20 0.41
PKM P14618 3/20 0.40
KAT2B Q92831 1/20 0.38
ALDH1A1 P00352 5/20 0.38
LMNA P02545 2/20 0.38
HPGD P15428 3/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
BCL2L1 Q07817 1/20 0.37
CYP19A1 P11511 2/20 0.37
CYP1A2 P05177 3/20 0.37
CYP3A4 P08684 3/20 0.37
CYP2C9 P11712 3/20 0.37
CYP2D6 P10635 2/20 0.37
CYP2C19 P33261 2/20 0.37
MAPK1 P28482 2/20 0.37
HIF1A Q16665 2/20 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
SCHEMBL6526602 0.82 CA2 (0.50) CA1CA2L3MBTL1
SCHEMBL6025521 0.78 KMT2A (0.42) MEN1KMT2AMAPTPKMALDH1A1
SCHEMBL6532196 0.72 LMNA (0.39) POLBMEN1KMT2AMAPTPKM
SCHEMBL6026291 0.72 KMT2A (0.41) POLBMEN1KMT2AMAPTPKM
SCHEMBL6531288 0.71 MEN1 (0.40) POLBMEN1KMT2AMAPTPKM
SCHEMBL6025786 0.71 PTGES2 (0.38) CA1CA2
SCHEMBL6530536 0.70 CA2 (0.38) ALDH1A1LMNAHPGDCA1CA2
SCHEMBL6026242 0.68 PTGES2 (0.35) MEN1KMT2AALDH1A1CA1CA2
SCHEMBL6530527 0.66 KMT2A (0.41) POLBMEN1KMT2AMAPTPKM
SCHEMBL6121414 0.66 CA2 (0.44) POLBMAPTALDH1A1CA1CA2

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