SCHEMBL6021682

SCHEMBL6021682

O=C(NCc1ccc([S+]([O-])N2CCC(NCc3ccnc4ccccc34)CC2)s1)c1ccc(Cl)cc1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 17/20 0.51
MAPK9 P45984 1/20 0.42
MAPK10 P53779 1/20 0.42
DPP4 P27487 1/20 0.40
DPP8 Q6V1X1 1/20 0.40
DPP7 Q9UHL4 1/20 0.40
MMP2 P08253 1/20 0.40
MMP13 P45452 1/20 0.40
TACR3 P29371 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
SCHEMBL7138040 0.85 TACR1 (0.49) TACR1TACR3
SCHEMBL3479999 0.83 MAPK9 (0.62) TACR1MAPK9MAPK10TACR3
SCHEMBL7139305 0.79 MAPK14 (0.43) MAPK9MAPK10MMP2MMP13
SCHEMBL7139566 0.78 KDM4E (0.42) MAPK9MAPK10
SCHEMBL7149127 0.78 MEN1 (0.52)
SCHEMBL6021542 0.77 CXCR3 (0.42) MAPK9MAPK10
SCHEMBL7142563 0.77 TP53 (0.44)
SCHEMBL7139598 0.76 BCHE (0.44)
SCHEMBL7139690 0.76 IDO1 (0.38) MAPK9MAPK10
SCHEMBL6021596 0.75 ALDH1A1 (0.41) MAPK9MAPK10

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-1663193-A1 SULFONAMIDE DERIVATIVES FOR THE TREATMENT OF DIABETES Applied Research Systems ARS Holding N.V. (AN) 2006-06-07 EP claimed
WO-2005025558-A1 SULFONAMIDE DERIVATIVES FOR THE TREATMENT OF DIABETES APPLIED RESERACH SYSTEMS ARS HOLDING N.V. (AN) 2005-03-24 WO claimed