SCHEMBL2420274

SCHEMBL2420274

COc1cccc(C(=O)NCc2ccc(S(=O)(=O)N3CCC(Nc4cccc(-c5ncco5)c4)CC3)s2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.47
MEN1 O00255 3/20 0.47
PKM P14618 1/20 0.42
ALDH1A1 P00352 3/20 0.40
LMNA P02545 3/20 0.40
HPGD P15428 2/20 0.40
POLB P06746 2/20 0.40
HSD17B10 Q99714 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPC1 O15118 1/20 0.40
APOBEC3A P31941 1/20 0.40
APOBEC3G Q9HC16 1/20 0.40
MAPK9 P45984 1/20 0.40
MAPK10 P53779 1/20 0.40
PTPN1 P18031 2/20 0.39
MAPT P10636 2/20 0.39
THRB P10828 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
LCLAT1 Q6UWP7 1/20 0.39
L3MBTL1 Q9Y468 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
SCHEMBL2423231 0.89 KMT2A (0.55) KMT2AMEN1PKMALDH1A1LMNA
SCHEMBL2422541 0.88 KMT2A (0.56) KMT2AMEN1PKMALDH1A1LMNA
SCHEMBL3479819 0.86 KMT2A (0.47) KMT2AMEN1PKMALDH1A1LMNA
SCHEMBL2423174 0.86 KMT2A (0.59) KMT2AMEN1PKMALDH1A1LMNA
SCHEMBL2420432 0.85 KMT2A (0.53) KMT2AMEN1PKMALDH1A1LMNA
SCHEMBL6431623 0.85 KMT2A (0.55) KMT2AMEN1PKMALDH1A1LMNA
SCHEMBL2427569 0.85 KMT2A (0.52) KMT2AMEN1PKMALDH1A1LMNA
SCHEMBL2427448 0.85 KMT2A (0.52) KMT2AMEN1PKMALDH1A1LMNA
SCHEMBL2421511 0.85 KMT2A (0.53) KMT2AMEN1PKMALDH1A1LMNA
SCHEMBL2429271 0.84 KMT2A (0.53) KMT2AMEN1PKMALDH1A1LMNA

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
US-8012995-B1 Pharmaceutically active sulfonamide derivatives MERCK SERONO SA (CH) 2011-09-06 US disclosed