SCHEMBL879596

SCHEMBL879596

COOCc1c(Cc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)c(=O)c2ccc(Cl)cc2n1-c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 14/20 0.61
MAPK9 P45984 9/20 0.61
MAPK10 P53779 5/20 0.61
USP2 O75604 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MAT2A P31153 1/20 0.42
ATM Q13315 1/20 0.41
LSS P48449 1/20 0.41
HTR6 P50406 1/20 0.40
PKM P14618 1/20 0.39

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
SCHEMBL846913 0.84 MAPK8 (0.84) MAPK8MAPK9MAPK10
SCHEMBL846797 0.83 MAPK8 (0.70) MAPK8MAPK9MAPK10USP2SMN1; SMN2
SCHEMBL848334 0.82 MAPK8 (0.68) MAPK8MAPK9MAPK10USP2SMN1; SMN2
SCHEMBL847016 0.76 MAPK8 (0.83) MAPK8MAPK9MAPK10
SCHEMBL847557 0.76 MAPK8 (1.00) MAPK8MAPK9MAPK10
SCHEMBL2616538 0.75 MAPK8 (0.80) MAPK8MAPK9MAPK10
Hydrochloric Acid SCHEMBL847556 0.75 MAPK8 (0.98) MAPK8MAPK9MAPK10
SCHEMBL847389 0.75 MAPK8 (0.83) MAPK8MAPK9MAPK10
SCHEMBL848283 0.74 MAPK8 (0.76) MAPK8MAPK9MAPK10
SCHEMBL845606 0.74 MAPK8 (0.69) MAPK8MAPK9MAPK10

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2148862-B1 DIHYDROQUINONE AND DIHYDRONAPHTHRIDINE INHIBITORS OF JNK HOFFMANN LA ROCHE (CH) 2012-03-28 EP disclosed