SCHEMBL9018673

SCHEMBL9018673

CS(=O)(=O)c1cc(C(=O)O)ccc1OC(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.50
EGLN1 Q9GZT9 1/20 0.47
NPSR1 Q6W5P4 1/20 0.46
ALPL P05186 2/20 0.46
RAB9A P51151 2/20 0.44
LMNA P02545 1/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA4 P22748 1/20 0.44
CA6 P23280 1/20 0.44
CA7 P43166 1/20 0.44
TPMT P51580 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
RXRA P19793 1/20 0.43
RXRB P28702 1/20 0.43
RXRG P48443 1/20 0.43

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
SCHEMBL8612688 0.88 SLC9A1 (0.53)
SCHEMBL31588260 0.85 ALPL (0.48) PKMNPSR1ALPLRAB9ALMNA
SCHEMBL23850921 0.85 ALPL (0.48) PKMNPSR1ALPLRAB9ALMNA
SCHEMBL9018675 0.81 SLC9A1 (0.57)
SCHEMBL2565798 0.81 PKM (0.73) PKMNPSR1RAB9ALMNAMAPK1
SCHEMBL9018714 0.79 PKM (0.50) PKMNPSR1RAB9ALMNAMAPK1
SCHEMBL9018697 0.79 PKM (0.50) PKMNPSR1RAB9ALMNAMAPK1
SCHEMBL3367612 0.79 RXRA (0.54) RAB9ALMNAMAPK1HTTCA12
SCHEMBL27051619 0.78 CA12 (0.50) PKMALPLRAB9ALMNAMAPK1
SCHEMBL7797862 0.78 EGLN1 (0.43) EGLN1

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-0743301-A2 Benzoylguanidines containing fluorine MERCK PATENT GmbH (DE) 1996-11-20 EP disclosed