SCHEMBL4193783

SCHEMBL4193783

COc1cccc(C(=O)NCc2ccc(S(=O)(=O)N3CCC(NCc4cc[n+](O)cc4)CC3)s2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.51
MEN1 O00255 1/20 0.51
PKM P14618 2/20 0.48
NPC1 O15118 1/20 0.46
APOBEC3A P31941 1/20 0.46
APOBEC3G Q9HC16 1/20 0.46
ALDH1A1 P00352 3/20 0.44
POLB P06746 2/20 0.44
LMNA P02545 2/20 0.44
HPGD P15428 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HSD17B10 Q99714 1/20 0.44
GAA P10253 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.42
CNR1 P21554 1/20 0.42
CNR2 P34972 1/20 0.42
MAPK1 P28482 1/20 0.42
MAPK9 P45984 1/20 0.42
MAPK10 P53779 1/20 0.42
RAB9A P51151 1/20 0.41

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
SCHEMBL3479961 0.92 KMT2A (0.55) KMT2AMEN1PKMNPC1APOBEC3A
SCHEMBL3480163 0.92 KMT2A (0.54) KMT2AMEN1PKMNPC1APOBEC3A
SCHEMBL3479863 0.92 KMT2A (0.58) KMT2AMEN1PKMNPC1APOBEC3A
SCHEMBL3480254 0.91 KMT2A (0.55) KMT2AMEN1PKMNPC1APOBEC3A
SCHEMBL3479836 0.90 KMT2A (0.52) KMT2AMEN1PKMNPC1APOBEC3A
SCHEMBL3479968 0.90 KMT2A (0.52) KMT2AMEN1PKMNPC1APOBEC3A
SCHEMBL3479987 0.90 KMT2A (0.52) KMT2AMEN1PKMNPC1APOBEC3A
SCHEMBL3479831 0.89 KMT2A (0.55) KMT2AMEN1PKMNPC1APOBEC3A
SCHEMBL3479988 0.89 KMT2A (0.51) KMT2AMEN1PKMNPC1APOBEC3A
SCHEMBL3479955 0.89 KMT2A (0.53) KMT2AMEN1PKMNPC1APOBEC3A

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-2026802-A2 JNK INHIBITORS FOR TREATMENT OF SKIN DISEASES Laboratoires Serono SA (CH) 2009-02-25 EP disclosed
WO-2007141224-A2 JNK INHIBITORS FOR TREATMENT OF SKIN DISEASES LABORATOIRES SERONO SA (CH) 2007-12-13 WO disclosed