SCHEMBL4965614

SCHEMBL4965614

COc1cccc(C(=O)NCc2ccc(S(=O)(=O)N3CCC(NC(C)Cc4ccc(C(F)(F)F)cc4)CC3)s2)c1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
PKM P14618 2/20 0.44
CCR2 P41597 3/20 0.43
ALDH1A1 P00352 3/20 0.42
POLB P06746 2/20 0.42
NPC1 O15118 1/20 0.42
APOBEC3A P31941 1/20 0.42
APOBEC3G Q9HC16 1/20 0.42
GAA P10253 1/20 0.42
LMNA P02545 2/20 0.41
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MAPK1 P28482 1/20 0.40
MAPK9 P45984 1/20 0.40
MAPK10 P53779 1/20 0.40
EPHX2 P34913 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
SCHEMBL3479848 0.90 KMT2A (0.50) KMT2AMEN1PKMCCR2ALDH1A1
SCHEMBL3479972 0.89 KMT2A (0.52) KMT2AMEN1PKMCCR2ALDH1A1
SCHEMBL3479782 0.88 KMT2A (0.51) KMT2AMEN1PKMCCR2ALDH1A1
SCHEMBL7146589 0.87 KMT2A (0.50) KMT2AMEN1PKMCCR2ALDH1A1
SCHEMBL3479904 0.87 KMT2A (0.53) KMT2AMEN1PKMCCR2ALDH1A1
SCHEMBL7147077 0.86 KMT2A (0.49) KMT2AMEN1PKMCCR2ALDH1A1
SCHEMBL4965617 0.86 KMT2A (0.49) KMT2AMEN1PKMCCR2ALDH1A1
SCHEMBL3479876 0.85 KMT2A (0.51) KMT2AMEN1PKMCCR2ALDH1A1
SCHEMBL3479998 0.85 KMT2A (0.50) KMT2AMEN1PKMCCR2ALDH1A1
SCHEMBL3480133 0.84 CCR2 (0.51) KMT2AMEN1PKMCCR2ALDH1A1

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-1904181-A2 JNK INHIBITORS FOR THE TREATMENT OF ENDOMETREOSIS LABORATOIRES SERONO S.A. (CH) 2008-04-02 EP disclosed
WO-2007011762-A2 JNK INHIBITORS FOR THE TREATMENT OF ENDOMETREOSIS LABORATOIRES SERONO S.A. (CH) 2007-01-25 WO disclosed