SCHEMBL28814178

SCHEMBL28814178

CON=Cc1c[c]c(CN)cc1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 3/20 0.41
▸ GAA P10253 1/20 0.36
▸ PPARG P37231 1/20 0.31
▸ PPARA Q07869 1/20 0.31
▸ LMNA P02545 2/20 0.30
▸ MAPT P10636 2/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ MAPK1 P28482 1/20 0.30

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
SCHEMBL27982350 0.77 ALDH1A1 (0.37) GAAMAPTMEN1KMT2AALDH1A1
SCHEMBL27982847 0.75 SRC (0.44) SRCGAALMNAMAPTMEN1
SCHEMBL15066273 0.75 SRC (0.46) SRCGAAPPARGPPARALMNA
SCHEMBL15066272 0.75 SRC (0.46) SRCGAAPPARGPPARALMNA
SCHEMBL16395014 0.74 SRC (0.44) SRCGAAPPARGPPARALMNA
SCHEMBL16395016 0.74 SRC (0.44) SRCGAAPPARGPPARALMNA
SCHEMBL15066849 0.74 SRC (0.44) SRCGAAPPARGPPARALMNA
SCHEMBL15066851 0.74 SRC (0.44) SRCGAAPPARGPPARALMNA
SCHEMBL13397720 0.71 SRC (0.61) SRCGAAPPARGPPARALMNA
SCHEMBL3924093 0.67 TAAR1 (0.41) ALDH1A1MAPK1

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
CN-104011032-A Heteroarylpiperidine and piperazine derivatives as fungicides BAYER IP GMBH 2014-08-27 — — CN disclosed
Send feedback