SCHEMBL3349648

SCHEMBL3349648

CN1CCC(n2c(Cl)c(Cl)c3ccc([N+](=O)[O-])cc32)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.41
ALDH1A1 P00352 6/20 0.39
POLB P06746 1/20 0.39
SIRT6 Q8N6T7 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
SIRT2 Q8IXJ6 1/20 0.39
HIF1A Q16665 1/20 0.38
MAPT P10636 4/20 0.38
MEN1 O00255 2/20 0.38
CYP2D6 P10635 2/20 0.38
KMT2A Q03164 2/20 0.38
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 1/20 0.38
HPGD P15428 1/20 0.38
CYP2C19 P33261 1/20 0.38
LMNA P02545 1/20 0.38
PKM P14618 1/20 0.38
HTR7 P34969 1/20 0.38
WDR5 P61964 2/20 0.37
NOS3 P29474 1/20 0.37

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
SCHEMBL3354484 0.78 ALDH1A1 (0.41) ACHEALDH1A1POLBSIRT6SMN1; SMN2
SCHEMBL3356653 0.78 LMNA (0.42) ACHEALDH1A1SIRT6SMN1; SMN2SIRT2
SCHEMBL3348558 0.77 MAPT (0.39) ACHEALDH1A1SIRT6SMN1; SMN2SIRT2
SCHEMBL13537372 0.75 POLB (0.38) POLBSMN1; SMN2LMNA
SCHEMBL3352228 0.75 HTR7 (0.44) ACHEALDH1A1SIRT6SIRT2HIF1A
SCHEMBL3357241 0.73 ACHE (0.41) ACHEALDH1A1SIRT6HIF1AMAPT
SCHEMBL3354823 0.73 LMNA (0.43) ACHEALDH1A1SIRT6SMN1; SMN2HIF1A
SCHEMBL3355435 0.71 ALDH1A1 (0.42) ACHEALDH1A1SIRT6SMN1; SMN2HIF1A
SCHEMBL3353280 0.71 HTR7 (0.53) ACHESIRT6HIF1AMAPTPKM
SCHEMBL3354325 0.71 AVPR1A (0.43) ACHEALDH1A1POLBSMN1; SMN2HIF1A

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
EP-2141163-A1 Substituted thiazolidinones, their production and utilisation as medicine Bayer Schering Pharma AG (DE) 2010-01-06 EP disclosed