SCHEMBL4284871

SCHEMBL4284871

ClCCc1csc(-c2ccc(Cl)cc2)n1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GFER P55789 1/20 0.75
MAPT P10636 8/20 0.52
RAB9A P51151 5/20 0.52
NPC1 O15118 3/20 0.52
ALDH1A1 P00352 2/20 0.52
MEN1 O00255 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
KMT2A Q03164 1/20 0.52
HIF1A Q16665 1/20 0.52
HSD17B10 Q99714 1/20 0.52
LMNA P02545 6/20 0.52
TP53 P04637 6/20 0.52
POLB P06746 2/20 0.51
GAA P10253 1/20 0.51
KDM4E B2RXH2 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50

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
SCHEMBL203617 0.86 GFER (1.00) GFERMAPTRAB9ANPC1ALDH1A1
SCHEMBL28003279 0.85 GFER (0.68) GFERMAPTRAB9ANPC1ALDH1A1
SCHEMBL2224601 0.85 GFER (0.68) GFERMAPTRAB9ANPC1ALDH1A1
SCHEMBL13064774 0.85 GFER (0.68) GFERMAPTRAB9ANPC1ALDH1A1
SCHEMBL2073499 0.85 GFER (0.68) GFERMAPTRAB9ANPC1ALDH1A1
SCHEMBL6343767 0.81 LMNA (0.55) GFERMAPTLMNATP53POLB
SCHEMBL13680922 0.81 GFER (0.62) GFERMAPTRAB9ANPC1ALDH1A1
SCHEMBL12409160 0.81 GFER (0.72) GFERMAPTRAB9ANPC1ALDH1A1
SCHEMBL15348929 0.81 GFER (0.72) GFERMAPTRAB9ANPC1ALDH1A1
SCHEMBL2056124 0.81 GFER (0.72) GFERMAPTRAB9ANPC1ALDH1A1

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-2009153536-A1 1-AZA-BICYCLO [2.2.2] OCTANE DERIVATIVES USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS ARGENTA DISCOVERY LIMITED (GB) 2009-12-23 WO disclosed