SCHEMBL4192950

SCHEMBL4192950

CCCc1cccc(OC2CCN(S(=O)(=O)c3ccc(CNC(=O)c4cccc(OC)c4)s3)CC2)c1.COc1cccc(C(=O)NCc2ccc(S(=O)(=O)N3CCC(Nc4cccc(-c5ccccc5)c4)CC3)s2)c1.COc1cccc(C(=O)NCc2ccc(S(=O)(=O)N3CCC(Nc4cccc(-c5cnco5)c4)CC3)s2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
WNT1 P04628 1/20 0.40
GSK3B P49841 1/20 0.40
DYRK1A Q13627 1/20 0.40
SLC5A7 Q9GZV3 2/20 0.39
PKM P14618 2/20 0.39
NPC1 O15118 3/20 0.37
RAB9A P51151 2/20 0.37
EGFR P00533 2/20 0.37
ERBB2 P04626 2/20 0.37
MAPK9 P45984 1/20 0.37
MAPK10 P53779 1/20 0.37
APOBEC3A P31941 1/20 0.36
APOBEC3G Q9HC16 1/20 0.36
AURKA O14965 1/20 0.36
ROCK2 O75116 1/20 0.36
ALDH1A1 P00352 2/20 0.35
CCR3 P51677 1/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL3479819 0.89 KMT2A (0.47) KMT2AMEN1WNT1GSK3BDYRK1A
SCHEMBL2421857 0.84 KMT2A (0.52) KMT2AMEN1PKMNPC1APOBEC3A
SCHEMBL2422939 0.84 KMT2A (0.53) KMT2AMEN1SLC5A7PKMNPC1
SCHEMBL2423231 0.84 KMT2A (0.55) KMT2AMEN1PKMNPC1RAB9A
SCHEMBL7443445 0.83 ALDH1A1 (0.46) KMT2AMEN1PKMNPC1APOBEC3A
SCHEMBL7445343 0.80 MEN1 (0.39) KMT2AMEN1WNT1GSK3BDYRK1A
SCHEMBL7438443 0.80 KMT2A (0.48) KMT2AMEN1PKMNPC1RAB9A
SCHEMBL2424314 0.80 KMT2A (0.53) KMT2AMEN1PKMNPC1MAPK9
SCHEMBL2423174 0.79 KMT2A (0.59) KMT2AMEN1PKMNPC1RAB9A
SCHEMBL2425856 0.79 KMT2A (0.54) KMT2AMEN1PKMNPC1RAB9A

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