SCHEMBL12786040

SCHEMBL12786040

O=Cc1nc(-c2ccc(Cl)c(F)c2)nc(NCc2ccccc2)c1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR68 Q15743 1/20 0.45
▸ PDE5A O76074 8/20 0.40
▸ MEN1 O00255 6/20 0.40
▸ KMT2A Q03164 6/20 0.40
▸ GBA1 P04062 1/20 0.40
▸ ATM Q13315 1/20 0.40
▸ LMNA P02545 4/20 0.40
▸ MAPT P10636 3/20 0.40
▸ MAPK1 P28482 4/20 0.39
▸ ALDH1A1 P00352 4/20 0.39
▸ CYP1A2 P05177 3/20 0.39
▸ CYP3A4 P08684 3/20 0.39
▸ CYP2D6 P10635 3/20 0.39
▸ CYP2C19 P33261 3/20 0.39
▸ HSD17B10 Q99714 3/20 0.39
▸ TP53 P04637 2/20 0.39
▸ HIF1A Q16665 2/20 0.39
▸ POLB P06746 2/20 0.39
▸ USP1 O94782 1/20 0.39
▸ WDR48 Q8TAF3 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
SCHEMBL11918075 0.90 GPR68 (0.44) GPR68PDE5AMEN1KMT2AGBA1
SCHEMBL12786042 0.82 ALDH1A1 (0.48) PDE5AMEN1KMT2AMAPTMAPK1
SCHEMBL11918064 0.82 GPR68 (0.38) GPR68PDE5AMEN1KMT2AGBA1
SCHEMBL11902751 0.79 CYP1A2 (0.44) GPR68MEN1KMT2ALMNAMAPT
SCHEMBL11918137 0.77 CYP1A2 (0.43) PDE5AMEN1KMT2ALMNAMAPT
SCHEMBL1653951 0.74 ALDH1A1 (0.43) GPR68PDE5AMEN1KMT2ALMNA
SCHEMBL11913407 0.73 ALDH1A1 (0.41) GPR68MEN1KMT2ALMNAMAPT
SCHEMBL11918076 0.72 CYP1A2 (0.41) MEN1KMT2ALMNAMAPTMAPK1
SCHEMBL12737648 0.72 HSD17B10 (0.48) PDE5AMEN1KMT2ALMNAMAPT
SCHEMBL11902674 0.70 ALDH1A1 (0.43) GPR68MEN1KMT2ALMNAMAPT

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
WO-2011045561-A2 HERBICIDAL COMPOUNDS SYNGENTA LIMITED (GB) 2011-04-21 — — WO disclosed
Send feedback