SCHEMBL4190631

SCHEMBL4190631

CCCc1ccc(NC2CCN(S(=O)(=O)c3ccc(CNC(=O)c4cccc(OC)c4)s3)CC2)cc1.CCCc1ccccc1NC1CCN(S(=O)(=O)c2ccc(CNC(=O)c3cccc(OC)c3)s2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
PKM P14618 2/20 0.43
NPC1 O15118 1/20 0.40
APOBEC3A P31941 1/20 0.40
APOBEC3G Q9HC16 1/20 0.40
ALDH1A1 P00352 4/20 0.39
POLB P06746 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HPGD P15428 2/20 0.39
LMNA P02545 1/20 0.39
HSD17B10 Q99714 1/20 0.39
KCNA5 P22460 1/20 0.39
MAPT P10636 1/20 0.39
MAPK9 P45984 1/20 0.39
MAPK10 P53779 1/20 0.39
USP2 O75604 1/20 0.39
GAA P10253 2/20 0.39
RAB9A P51151 1/20 0.39
ABCB1 P08183 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
SCHEMBL2425418 0.94 KMT2A (0.54) KMT2AMEN1PKMNPC1APOBEC3A
SCHEMBL2424314 0.94 KMT2A (0.53) KMT2AMEN1PKMNPC1APOBEC3A
SCHEMBL2421857 0.88 KMT2A (0.52) KMT2AMEN1PKMNPC1APOBEC3A
SCHEMBL7437813 0.87 KMT2A (0.47) KMT2AMEN1PKMNPC1APOBEC3A
SCHEMBL2423174 0.86 KMT2A (0.59) KMT2AMEN1PKMNPC1APOBEC3A
SCHEMBL3479955 0.86 KMT2A (0.53) KMT2AMEN1PKMNPC1APOBEC3A
SCHEMBL2428956 0.85 KMT2A (0.53) KMT2AMEN1PKMNPC1APOBEC3A
SCHEMBL6439275 0.85 MEN1 (0.63) KMT2AMEN1ALDH1A1POLBLMNA
SCHEMBL2422077 0.84 KMT2A (0.53) KMT2AMEN1PKMNPC1APOBEC3A
SCHEMBL2428546 0.84 KMT2A (0.55) 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