SCHEMBL18558388

SCHEMBL18558388

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

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.39
TP53 P04637 1/20 0.39
HDAC6 Q9UBN7 1/20 0.37
ALPL P05186 1/20 0.36
CNR2 P34972 2/20 0.36
GRM5 P41594 2/20 0.36
RAF1 P04049 2/20 0.35
BCHE P06276 1/20 0.35
ACHE P22303 1/20 0.35
IDO1 P14902 2/20 0.35
HTT P42858 1/20 0.35
ABL1 P00519 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
SCHEMBL18558387 0.93 RAF1 (0.41) MAPTHDAC6ALPLCNR2GRM5
SCHEMBL18558156 0.91 MAPT (0.36) MAPTHDAC6ALPLCNR2GRM5
SCHEMBL18558126 0.91 RAB9A (0.38) MAPTTP53ALPLCNR2GRM5
SCHEMBL18558394 0.91 RAF1 (0.39) HDAC6ALPLCNR2RAF1BCHE
SCHEMBL18558653 0.90 IDO1 (0.39) HDAC6ALPLIDO1
SCHEMBL19360275 0.90 MAPT (0.39) MAPTTP53HDAC6ALPLRAF1
SCHEMBL18558154 0.90 GRM5 (0.42) HDAC6ALPLCNR2GRM5RAF1
SCHEMBL18557825 0.90 ALPL (0.38) HDAC6ALPLCNR2GRM5RAF1
SCHEMBL18558155 0.89 MAPT (0.41) MAPTTP53HDAC6ALPL
SCHEMBL18557830 0.89 MAPT (0.41) MAPTTP53HDAC6ALPL

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