SCHEMBL4979545

SCHEMBL4979545

Nc1cccnc1NC1CCN(S(=O)(=O)c2ccc(CNC(=O)c3ccc(Cl)cc3)s2)CC1.O=C(NCc1ccc(S(=O)(=O)N2CCC(Nc3ncccc3[N+](=O)[O-])CC2)s1)c1ccc(Cl)cc1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK9 P45984 1/20 0.51
MAPK10 P53779 1/20 0.51
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
CNR1 P21554 5/20 0.38
CNR2 P34972 3/20 0.38
LMNA P02545 1/20 0.36
BCL2 P10415 1/20 0.36
BCL2L1 Q07817 1/20 0.36
USP5 P45974 1/20 0.36
TGM2 P21980 1/20 0.35
ALDH1A1 P00352 1/20 0.35
PKM P14618 1/20 0.35
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL2423898 0.96 MAPK9 (0.55) MAPK9MAPK10KMT2AMEN1CNR1
SCHEMBL2422267 0.93 MAPK9 (0.58) MAPK9MAPK10KMT2AMEN1CNR1
SCHEMBL2423345 0.90 MEN1 (0.47) MAPK9MAPK10KMT2AMEN1LMNA
SCHEMBL2423715 0.89 MEN1 (0.47) MAPK9MAPK10KMT2AMEN1LMNA
SCHEMBL6431835 0.89 MEN1 (0.55) MAPK9MAPK10KMT2AMEN1LMNA
SCHEMBL7444767 0.87 MEN1 (0.45) MAPK9MAPK10KMT2AMEN1LMNA
SCHEMBL2426717 0.85 CYP1A2 (0.45) MAPK9MAPK10KMT2AMEN1LMNA
SCHEMBL2420394 0.84 CYP1A2 (0.46) MAPK9MAPK10KMT2AMEN1LMNA
SCHEMBL2423150 0.84 MAPK9 (0.58) MAPK9MAPK10KMT2AMEN1CNR1
SCHEMBL27494340 0.82 MAPK9 (0.42) MAPK9MAPK10KMT2AMEN1CNR1

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