SCHEMBL8767967

SCHEMBL8767967

N=C(N)NC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.58
CES2 O00748 1/20 0.52
HDAC3 O15379 2/20 0.46
HDAC8 Q9BY41 2/20 0.46
HDAC6 Q9UBN7 2/20 0.46
TACR1 P25103 1/20 0.44
P2RX1 P51575 2/20 0.44
RHOC P08134 6/20 0.43
RHOA P61586 6/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC9 Q9UKV0 1/20 0.43
HDAC5 Q9UQL6 1/20 0.43
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
CLPP Q16740 1/20 0.39

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 SCHEMBL8503520 0.98 GAA (0.57) GAACES2HDAC3HDAC8HDAC6
SCHEMBL8768136 0.90 GAA (0.49) GAACES2HDAC3HDAC8HDAC6
Hydrochloric Acid SCHEMBL8504149 0.89 GAA (0.48) GAACES2HDAC3HDAC8HDAC6
SCHEMBL8768316 0.89 GAA (0.48) GAACES2HDAC3HDAC8HDAC6
Hydrochloric Acid SCHEMBL8742165 0.89 GAA (0.48) GAACES2HDAC3HDAC8HDAC6
SCHEMBL8170159 0.89 GAA (0.48) GAACES2HDAC3HDAC6RHOC
Hydrochloric Acid SCHEMBL8503854 0.88 GAA (0.47) GAACES2HDAC3HDAC8HDAC6
Hydrochloric Acid SCHEMBL8506637 0.88 GAA (0.47) GAACES2HDAC3HDAC8HDAC6
Hydrochloric Acid SCHEMBL8506916 0.88 GAA (0.47) GAAHDAC3HDAC6RHOCRHOA
Hydrochloric Acid SCHEMBL9043440 0.85 GAA (0.44) GAACES2HDAC3HDAC8HDAC6

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