SCHEMBL7430997

SCHEMBL7430997

COc1cccc(C(=O)NCc2ccc(S(=O)(=O)N3CCC(Nc4ccc(O)cc4)CC3)s2)c1.COc1cccc(C(=O)NCc2ccc(S(=O)(=O)N3CCC(Nc4cccc(SC(F)(F)F)c4)CC3)s2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
PKM P14618 1/20 0.41
ALDH1A1 P00352 3/20 0.39
POLB P06746 2/20 0.39
LMNA P02545 2/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSD17B10 Q99714 1/20 0.39
NPC1 O15118 1/20 0.39
APOBEC3A P31941 1/20 0.39
APOBEC3G Q9HC16 1/20 0.39
EPHX2 P34913 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
MAPK9 P45984 1/20 0.37
MAPK10 P53779 1/20 0.37
MAPK1 P28482 1/20 0.37
CCR6 P51684 1/20 0.37
GAA P10253 1/20 0.37
CCR2 P41597 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
SCHEMBL2425941 0.96 KMT2A (0.48) KMT2AMEN1PKMALDH1A1POLB
SCHEMBL4965744 0.94 KMT2A (0.40) KMT2AMEN1PKMALDH1A1POLB
SCHEMBL2428956 0.90 KMT2A (0.53) KMT2AMEN1PKMALDH1A1POLB
SCHEMBL7448704 0.88 MAPK9 (0.49) KMT2AMEN1ALDH1A1POLBLMNA
SCHEMBL2420467 0.88 KMT2A (0.51) KMT2AMEN1PKMALDH1A1POLB
SCHEMBL2422541 0.87 KMT2A (0.56) KMT2AMEN1PKMALDH1A1POLB
SCHEMBL2423174 0.86 KMT2A (0.59) KMT2AMEN1PKMALDH1A1POLB
SCHEMBL3479931 0.86 PKM (0.48) KMT2AMEN1PKMALDH1A1POLB
SCHEMBL2423025 0.85 KMT2A (0.50) KMT2AMEN1PKMALDH1A1POLB
SCHEMBL2421883 0.85 KMT2A (0.49) KMT2AMEN1PKMALDH1A1POLB

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 4 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
EP-1218374-A1 PHARMACEUTICALLY ACTIVE SULFONAMIDE DERIVATIVES Applied Research Systems ARS Holding N.V. (AN) 2002-07-03 EP disclosed
WO-2001023378-A1 PHARMACEUTICALLY ACTIVE SULFONAMIDE DERIVATIVES APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2001-04-05 WO disclosed