SCHEMBL6753597

SCHEMBL6753597

O=C(NCc1ccc(S(=O)(=O)NC2CCCCC2NCc2ccc(C(F)(F)F)cc2)s1)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 6/20 0.52
MAOA P21397 3/20 0.50
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
SCN9A Q15858 5/20 0.43
MAPK14 Q16539 1/20 0.42
SSTR3 P32745 3/20 0.42
CCKBR P32239 1/20 0.42
KDM1A O60341 1/20 0.40
MAOB P27338 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
SCHEMBL3546605 0.91 CCR2 (0.51) CCR2MAOAMEN1KMT2ASCN9A
SCHEMBL6753593 0.81 CCR2 (0.40) CCR2MAOASCN9ASSTR3KDM1A
SCHEMBL11929041 0.79 MAPK9 (0.41) CCR2MEN1KMT2A
SCHEMBL12334073 0.77 CCKBR (0.49) MEN1KMT2AMAPK14CCKBR
SCHEMBL3545167 0.74 ALDH1A1 (0.50) CCR2MEN1KMT2A
SCHEMBL3480150 0.72 MAPK9 (0.56) CCR2MEN1KMT2A
SCHEMBL3546787 0.72 CCR2 (0.48) CCR2
SCHEMBL3545198 0.72 CCR2 (0.54) CCR2KMT2A
SCHEMBL6436632 0.72 MEN1 (0.57) MEN1KMT2A
SCHEMBL3546609 0.71 MAPK9 (0.42) CCR2MEN1KMT2AMAPK14

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-1409483-A1 ARYLSULFONAMIDE DERIVATIVES AS C-JUN-N-TERMINAL KINASES (JNK'S) INHIBITORS Applied Research Systems ARS Holding N.V. (AN) 2004-04-21 EP disclosed
WO-2003010164-A1 ARYLSULFONAMIDE DERIVATIVES AS C-JUN-N-TERMINAL KINASES (JNK'S) INHIBITORS APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2003-02-06 WO disclosed