SCHEMBL4197945

SCHEMBL4197945

CCCCC(CC)CNC1CCCN(S(=O)(=O)c2ccc(CNC(=O)c3ccc(Cl)cc3)s2)CC1.CCCCCCNC1CCCN(S(=O)(=O)c2ccc(CNC(=O)c3ccc(Cl)cc3)s2)CC1.CCCCCCNC1CCCN(S(=O)(=O)c2ccc(CNC(=O)c3cccc(OC)c3)s2)CC1.CCCOCCNC1CCCN(S(=O)(=O)c2ccc(CNC(=O)c3ccc(Cl)cc3)s2)CC1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
MAPK9 P45984 1/20 0.40
MAPK10 P53779 1/20 0.40
GAA P10253 2/20 0.36
MAPT P10636 1/20 0.36
ALDH1A1 P00352 1/20 0.36
DRD4 P21917 3/20 0.35
DRD2 P14416 2/20 0.35
PKM P14618 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
GRM5 P41594 1/20 0.34
CHRM1 P11229 1/20 0.33

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
SCHEMBL4969068 0.91 MAPK9 (0.45) MEN1KMT2AMAPK9MAPK10GAA
SCHEMBL4970283 0.90 MEN1 (0.49) MEN1KMT2AMAPK9MAPK10GAA
SCHEMBL3480450 0.89 KMT2A (0.48) MEN1KMT2AGAAMAPTALDH1A1
SCHEMBL4968163 0.87 KMT2A (0.51) MEN1KMT2AMAPK9MAPK10GAA
SCHEMBL4190702 0.87 MEN1 (0.39) MEN1KMT2AMAPK9MAPK10GAA
SCHEMBL3479857 0.86 KMT2A (0.51) MEN1KMT2AGAAMAPTALDH1A1
SCHEMBL3480005 0.86 KMT2A (0.51) MEN1KMT2AMAPK9MAPK10GAA
SCHEMBL3480164 0.85 KMT2A (0.51) MEN1KMT2AGAAMAPTALDH1A1
SCHEMBL3480097 0.85 KMT2A (0.51) MEN1KMT2AGAAMAPTALDH1A1
SCHEMBL4968951 0.85 KMT2A (0.51) MEN1KMT2AGAAMAPTALDH1A1

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