SCHEMBL4192147

SCHEMBL4192147

COc1cccc(C(=O)NCc2ccc(S(=O)(=O)N3CCC(CCc4ccccc4)CC3)s2)c1.COc1cccc(C(=O)NCc2ccc(S(=O)(=O)N3CCC(Nc4cccc(Cc5ccccc5)c4)CC3)s2)c1.COc1cccc(C(=O)NCc2ccc(S(=O)(=O)N3CCN(CCCc4ccccc4)CC3)s2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 2/20 0.45
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
NPC1 O15118 1/20 0.41
APOBEC3A P31941 1/20 0.41
APOBEC3G Q9HC16 1/20 0.41
PKM P14618 1/20 0.41
HTR2A P28223 2/20 0.41
CHRM4 P08173 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
RAB9A P51151 1/20 0.38
DRD4 P21917 2/20 0.38
DRD2 P14416 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL2425856 0.90 KMT2A (0.54) CCR3KMT2AMEN1NPC1APOBEC3A
SCHEMBL2423644 0.86 KMT2A (0.53) CCR3KMT2AMEN1NPC1APOBEC3A
SCHEMBL2423449 0.86 KMT2A (0.58) CCR3KMT2AMEN1NPC1APOBEC3A
SCHEMBL2423174 0.85 KMT2A (0.59) KMT2AMEN1NPC1APOBEC3AAPOBEC3G
SCHEMBL2421857 0.83 KMT2A (0.52) KMT2AMEN1NPC1APOBEC3AAPOBEC3G
SCHEMBL2429271 0.83 KMT2A (0.53) KMT2AMEN1NPC1APOBEC3AAPOBEC3G
SCHEMBL2422541 0.83 KMT2A (0.56) KMT2AMEN1NPC1APOBEC3AAPOBEC3G
SCHEMBL2423231 0.82 KMT2A (0.55) KMT2AMEN1NPC1APOBEC3AAPOBEC3G
SCHEMBL6431623 0.82 KMT2A (0.55) KMT2AMEN1NPC1APOBEC3AAPOBEC3G
SCHEMBL2424314 0.81 KMT2A (0.53) KMT2AMEN1NPC1APOBEC3AAPOBEC3G

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