SCHEMBL4199519

SCHEMBL4199519

COc1cccc(C(=O)NCc2ccc(S(=O)(=O)N3CCC(NCCc4ccc(C)cc4)CC3)s2)c1.COc1cccc(C(=O)NCc2ccc(S(=O)(=O)N3CCC(NCCc4cccc(C(F)(F)F)c4)CC3)s2)c1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
CCR2 P41597 6/20 0.46
PKM P14618 1/20 0.43
SCD O00767 1/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPC1 O15118 1/20 0.41
APOBEC3A P31941 1/20 0.41
APOBEC3G Q9HC16 1/20 0.41
KDM4E B2RXH2 1/20 0.41
CHRM1 P11229 1/20 0.41
KCNH2 Q12809 1/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL3479991 0.96 CCR2 (0.49) KMT2AMEN1CCR2PKMSCD
SCHEMBL7146589 0.93 KMT2A (0.50) KMT2AMEN1CCR2PKMALDH1A1
SCHEMBL3479897 0.93 KMT2A (0.53) KMT2AMEN1PKMALDH1A1MAPT
SCHEMBL3480133 0.90 CCR2 (0.51) KMT2AMEN1CCR2PKMSCD
SCHEMBL7147077 0.89 KMT2A (0.49) KMT2AMEN1CCR2PKMALDH1A1
SCHEMBL3480402 0.87 KMT2A (0.51) KMT2AMEN1PKMALDH1A1MAPT
SCHEMBL3479998 0.86 KMT2A (0.50) KMT2AMEN1CCR2PKMSCD
SCHEMBL3479972 0.86 KMT2A (0.52) KMT2AMEN1CCR2PKMALDH1A1
SCHEMBL4193054 0.86 CCR2 (0.48) KMT2AMEN1CCR2PKMSCD
SCHEMBL3480254 0.86 KMT2A (0.55) KMT2AMEN1PKMALDH1A1MAPT

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