SCHEMBL7801034

SCHEMBL7801034

CS(=O)(=O)c1cc(C(=O)N=C(N)N)ccc1C(F)(F)F

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 7/20 0.61
SLC9A2 Q9UBY0 1/20 0.61
CYP3A4 P08684 1/20 0.51

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
Hydrochloric Acid SCHEMBL8149118 0.99 SLC9A1 (0.60) SLC9A1SLC9A2CYP3A4
SCHEMBL9018715 0.89 SLC9A1 (0.59) SLC9A1SLC9A2
Hydrochloric Acid SCHEMBL8812986 0.87 SLC9A1 (0.63) SLC9A1SLC9A2
SCHEMBL8610270 0.86 SLC9A1 (0.55) SLC9A1SLC9A2
SCHEMBL29586404 0.84 AR (0.41) SLC9A1SLC9A2
SCHEMBL7832481 0.81 SLC9A1 (0.66) SLC9A1SLC9A2
SCHEMBL9018675 0.80 SLC9A1 (0.57) SLC9A1SLC9A2
SCHEMBL9194596 0.80 SLC9A1 (0.68) SLC9A1SLC9A2
SCHEMBL8816511 0.80 SLC9A1 (0.68) SLC9A1SLC9A2
SCHEMBL6935465 0.80 SLC9A1 (0.72) SLC9A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0743301-A2 Benzoylguanidines containing fluorine MERCK PATENT GmbH (DE) 1996-11-20 EP claimed
EP-0743301-B1 Benzoylguanidines containing fluorine MERCK PATENT GMBH (DE) 2001-08-29 EP disclosed
US-5747539-A Fluorine-containing benzoylguanidines MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1998-05-05 US disclosed
EP-0743301-A2 Benzoylguanidines containing fluorine MERCK PATENT GmbH (DE) 1996-11-20 EP disclosed