SCHEMBL4965744

SCHEMBL4965744

COc1cccc(C(=O)NCc2ccc(S(=O)(=O)N3CCC(Nc4ccc(O)cc4)CC3)s2)c1.O=C(NCc1ccc(S(=O)(=O)N2CCC(Nc3cccc(SC(F)(F)F)c3)CC2)s1)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
ALDH1A1 P00352 5/20 0.39
KDM4E B2RXH2 1/20 0.39
THRB P10828 1/20 0.39
PKM P14618 1/20 0.37
GPR17 Q13304 1/20 0.37
HPGD P15428 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MAPT P10636 2/20 0.36
TP53 P04637 1/20 0.36
NPC1 O15118 2/20 0.35
RAB9A P51151 1/20 0.35
APOBEC3A P31941 1/20 0.35
APOBEC3G Q9HC16 1/20 0.35
CCR6 P51684 1/20 0.34
GAA P10253 1/20 0.34

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
SCHEMBL7430997 0.94 KMT2A (0.45) KMT2AMEN1ALDH1A1THRBPKM
SCHEMBL2426648 0.91 MEN1 (0.44) KMT2AMEN1ALDH1A1HPGDSMN1; SMN2
SCHEMBL2425941 0.90 KMT2A (0.48) KMT2AMEN1ALDH1A1THRBPKM
SCHEMBL2419999 0.88 KMT2A (0.49) KMT2AMEN1ALDH1A1KDM4ETHRB
SCHEMBL2425542 0.88 KMT2A (0.49) KMT2AMEN1ALDH1A1KDM4ETHRB
SCHEMBL2425308 0.85 MEN1 (0.45) KMT2AMEN1ALDH1A1KDM4ETHRB
SCHEMBL2428956 0.85 KMT2A (0.53) KMT2AMEN1ALDH1A1THRBPKM
SCHEMBL2423977 0.84 KMT2A (0.48) KMT2AMEN1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL7448704 0.83 MAPK9 (0.49) KMT2AMEN1ALDH1A1SMN1; SMN2LMNA
SCHEMBL2420467 0.82 KMT2A (0.51) KMT2AMEN1ALDH1A1KDM4EPKM

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