SCHEMBL8767698

SCHEMBL8767698

N=C(N)NC(=O)c1ccc(Oc2ccc(F)cc2)c(C(F)(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 2/20 0.45
PRSS1 P07477 2/20 0.45
PRSS2 P07478 2/20 0.45
PRSS3 P35030 2/20 0.45
ST14 Q9Y5Y6 2/20 0.45
PLG P00747 1/20 0.45
SCN9A Q15858 1/20 0.41
EPHX2 P34913 1/20 0.41
SCN8A Q9UQD0 2/20 0.41
SCN10A Q9Y5Y9 2/20 0.41
MAPK8 P45983 1/20 0.41
MAPK10 P53779 1/20 0.41
BRAF P15056 2/20 0.40
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 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
Hydrochloric Acid SCHEMBL8505884 0.99 F2 (0.44) F2PRSS1PRSS2PRSS3ST14
Hydrochloric Acid SCHEMBL8506593 0.88 BRAF (0.43) F2SCN8ASCN10ABRAFHDAC3
Hydrochloric Acid SCHEMBL8503960 0.88 STK39 (0.45) SCN9AHDAC1HDAC8HDAC6PARP10
SCHEMBL8070147 0.86 TSHR (0.40)
SCHEMBL27352801 0.85 LMNA (0.43) F2PRSS1PRSS2PRSS3ST14
SCHEMBL8059411 0.85 HDAC3 (0.39) F2PRSS1PRSS2PRSS3ST14
SCHEMBL8061430 0.85 MRGPRX1 (0.40) F2PRSS1PRSS2PRSS3ST14
SCHEMBL8181853 0.84 SLC6A2 (0.37) SCN9ABRAFHDAC3HDAC4HDAC1
SCHEMBL8181852 0.83 SCN9A (0.38) SCN9ABRAFHDAC3HDAC4HDAC1
SCHEMBL8074970 0.82 SLC6A2 (0.45) SCN9ABRAFHDAC3HDAC4HDAC1

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-0612723-B1 Substituted benzoylguanidines, process for their preparation, their use as medicament, as inhibitor of the cellular Na+/H+ exchange or as diagnostic agent and medicament containing them HOECHST AG (DE) 1997-08-27 EP claimed