SCHEMBL4970923

SCHEMBL4970923

O=C(O)c1ccc2c(c1)nnn2C1CCN(S(=O)(=O)c2ccc(CNC(=O)c3ccc(Cl)cc3)s2)CC1.O=C(O)c1ccc2nnn(C3CCN(S(=O)(=O)c4ccc(CNC(=O)c5ccc(Cl)cc5)s4)CC3)c2c1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK9 P45984 1/20 0.79
MAPK10 P53779 1/20 0.79
GAA P10253 3/20 0.49
RXFP1 Q9HBX9 1/20 0.47
TSHR P16473 5/20 0.47
USP2 O75604 4/20 0.47
LMNA P02545 3/20 0.47
POLB P06746 2/20 0.47
GALK1 P51570 1/20 0.47
HCAR3 P49019 4/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
SMN1; SMN2 Q16637 3/20 0.42
HPGD P15428 1/20 0.41
MAPK1 P28482 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
HTT P42858 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
SCHEMBL2422088 0.97 MAPK9 (0.81) MAPK9MAPK10GAARXFP1TSHR
SCHEMBL2422524 0.97 MAPK9 (0.81) MAPK9MAPK10GAARXFP1TSHR
SCHEMBL4970920 0.93 MAPK9 (0.77) MAPK9MAPK10GAARXFP1TSHR
SCHEMBL2420683 0.92 MAPK9 (0.85) MAPK9MAPK10GAARXFP1TSHR
SCHEMBL2421884 0.92 MAPK9 (0.85) MAPK9MAPK10GAARXFP1TSHR
SCHEMBL2425303 0.89 MAPK9 (0.78) MAPK9MAPK10GAARXFP1TSHR
SCHEMBL2420451 0.89 MAPK9 (0.78) MAPK9MAPK10GAARXFP1TSHR
SCHEMBL1518774 0.89 MAPK9 (1.00) MAPK9MAPK10GAARXFP1TSHR
SCHEMBL6438481 0.88 MAPK9 (0.76) MAPK9MAPK10GAARXFP1TSHR
SCHEMBL6439255 0.88 MAPK9 (0.76) MAPK9MAPK10GAARXFP1TSHR

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