SCHEMBL7437632

SCHEMBL7437632

COC(=O)c1cccc(NC2CCN(S(=O)(=O)c3ccc(CNC(=O)c4ccc([N+](=O)[O-])cc4)s3)CC2)c1.COc1cccc(NC2CCN(S(=O)(=O)c3ccc(CNC(=O)c4ccc([N+](=O)[O-])cc4)s3)CC2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
PKM P14618 2/20 0.44
ALDH1A1 P00352 5/20 0.43
GAA P10253 1/20 0.43
NPC1 O15118 2/20 0.42
MAPT P10636 2/20 0.42
USP5 P45974 1/20 0.42
MAPK9 P45984 1/20 0.41
MAPK10 P53779 1/20 0.41
HSD17B10 Q99714 2/20 0.41
POLB P06746 3/20 0.40
KDM4E B2RXH2 1/20 0.39
THRB P10828 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CCR6 P51684 1/20 0.38

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
SCHEMBL1518689 0.96 KMT2A (0.52) KMT2AMEN1PKMALDH1A1MAPT
SCHEMBL1518835 0.96 MEN1 (0.50) KMT2AMEN1PKMALDH1A1GAA
SCHEMBL2419999 0.91 KMT2A (0.49) KMT2AMEN1PKMALDH1A1GAA
SCHEMBL2422148 0.90 KMT2A (0.50) KMT2AMEN1ALDH1A1MAPTMAPK9
SCHEMBL2420432 0.90 KMT2A (0.53) KMT2AMEN1PKMALDH1A1GAA
SCHEMBL2425542 0.89 KMT2A (0.49) KMT2AMEN1PKMALDH1A1GAA
SCHEMBL6432690 0.88 MEN1 (0.52) KMT2AMEN1PKMALDH1A1NPC1
SCHEMBL2421181 0.87 MEN1 (0.49) KMT2AMEN1ALDH1A1MAPTMAPK9
SCHEMBL2427809 0.87 KMT2A (0.50) KMT2AMEN1ALDH1A1GAAMAPT
SCHEMBL2422541 0.87 KMT2A (0.56) KMT2AMEN1PKMALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1218374-A1 PHARMACEUTICALLY ACTIVE SULFONAMIDE DERIVATIVES Applied Research Systems ARS Holding N.V. (AN) 2002-07-03 EP claimed
WO-2001023378-A1 PHARMACEUTICALLY ACTIVE SULFONAMIDE DERIVATIVES APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2001-04-05 WO claimed