SCHEMBL18558394

SCHEMBL18558394

CC(C)(C)N/C(=N/C(=O)c1ccc(C(F)(F)F)cc1)Nc1cc(-c2cccc(Cl)c2)n[nH]1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 5/20 0.39
BRAF P15056 3/20 0.39
HDAC6 Q9UBN7 1/20 0.38
BCHE P06276 1/20 0.36
ACHE P22303 1/20 0.36
SNCA P37840 2/20 0.36
MAPK1 P28482 1/20 0.35
MAPK10 P53779 1/20 0.35
ALPL P05186 1/20 0.35
CNR2 P34972 1/20 0.35
ACR P10323 2/20 0.35
PPARG P37231 1/20 0.35
PPARD Q03181 1/20 0.35
PPARA Q07869 1/20 0.35
NR1H4 Q96RI1 1/20 0.35

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
SCHEMBL18558596 0.92 RAF1 (0.42) RAF1BRAFMAPK1ACR
SCHEMBL18558387 0.91 RAF1 (0.41) RAF1HDAC6BCHEACHEALPL
SCHEMBL9905267 0.91 SNCA (0.41) RAF1BRAFHDAC6SNCAACR
SCHEMBL9905271 0.91 SNCA (0.41) RAF1BRAFHDAC6SNCAACR
SCHEMBL18558388 0.91 MAPT (0.39) RAF1HDAC6BCHEACHEALPL
SCHEMBL18558030 0.91 GRM5 (0.41) RAF1BRAFSNCAACR
SCHEMBL18558333 0.90 SNCA (0.41) HDAC6BCHEACHESNCAALPL
SCHEMBL18558154 0.88 GRM5 (0.42) RAF1HDAC6BCHEACHEALPL
SCHEMBL18558156 0.88 MAPT (0.36) RAF1HDAC6BCHEACHEMAPK1
SCHEMBL18557825 0.86 ALPL (0.38) RAF1BRAFHDAC6BCHEACHE

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
US-9580388-B2 Pyrazolyl guanidine F1F0-ATPase inhibitors and therapeutic uses thereof LYCERA CORPORATION (US) 2017-02-28 US disclosed