SCHEMBL7146589

SCHEMBL7146589

COc1cccc(C(=O)NCc2ccc(S(=O)(=O)N3CCC(NCCc4ccc(C(F)(F)F)cc4)CC3)s2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.50
MEN1 O00255 1/20 0.50
PKM P14618 1/20 0.45
TGM2 P21980 2/20 0.45
ALDH1A1 P00352 4/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
MAPT P10636 1/20 0.45
CCR2 P41597 3/20 0.44
POLB P06746 2/20 0.43
NPC1 O15118 1/20 0.43
APOBEC3A P31941 1/20 0.43
APOBEC3G Q9HC16 1/20 0.43
TGM6 O95932 1/20 0.43
F13A1 P00488 1/20 0.43
TGM1 P22735 1/20 0.43
GAA P10253 1/20 0.43
EPHX2 P34913 1/20 0.42
LMNA P02545 1/20 0.42
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL7147077 0.96 KMT2A (0.49) KMT2AMEN1PKMTGM2ALDH1A1
SCHEMBL3479991 0.94 CCR2 (0.49) KMT2AMEN1PKMALDH1A1CCR2
SCHEMBL3479972 0.94 KMT2A (0.52) KMT2AMEN1PKMALDH1A1SMN1; SMN2
SCHEMBL4199519 0.93 KMT2A (0.46) KMT2AMEN1PKMALDH1A1SMN1; SMN2
SCHEMBL3480402 0.91 KMT2A (0.51) KMT2AMEN1PKMTGM2ALDH1A1
SCHEMBL3479897 0.91 KMT2A (0.53) KMT2AMEN1PKMTGM2ALDH1A1
SCHEMBL3479854 0.90 KMT2A (0.53) KMT2AMEN1PKMTGM2ALDH1A1
SCHEMBL3479998 0.89 KMT2A (0.50) KMT2AMEN1PKMALDH1A1SMN1; SMN2
SCHEMBL3480133 0.88 CCR2 (0.51) KMT2AMEN1PKMALDH1A1CCR2
SCHEMBL3479904 0.88 KMT2A (0.53) KMT2AMEN1PKMALDH1A1SMN1; SMN2

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-1322642-A2 sHARMACEUTICALLY ACTIVE SULFONAMIDE DERIVATIVES BEARING BOTH LIPOPHILIC AND IONISABLE MOIETIES AS INHIBITORS OF PROTEIN JUNKINASES Applied Research Systems ARS Holding N.V. (AN) 2003-07-02 EP claimed
WO-2002026733-A2 sHARMACEUTICALLY ACTIVE SULFONAMIDE DERIVATIVES BEARING BOTH LIPOPHILIC AND IONISABLE MOIETIES AS INHIBITORS OF PROTEIN JUNKINASES APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2002-04-04 WO claimed