SCHEMBL3354484

SCHEMBL3354484

CN1CCC(n2cc(Cl)c3ccc([N+](=O)[O-])cc32)CC1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.41
ACHE P22303 1/20 0.41
POLB P06746 1/20 0.41
LMNA P02545 3/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPT P10636 3/20 0.39
CYP2D6 P10635 1/20 0.39
WDR5 P61964 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
SIRT6 Q8N6T7 1/20 0.39
HIF1A Q16665 1/20 0.38
VCAM1 P19320 1/20 0.38
HSD17B10 Q99714 1/20 0.38
PKM P14618 1/20 0.38

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
SCHEMBL3357241 0.85 ACHE (0.41) ALDH1A1ACHELMNAMAPTWDR5
SCHEMBL3355435 0.83 ALDH1A1 (0.42) ALDH1A1ACHELMNASMN1; SMN2MAPT
SCHEMBL3348593 0.83 IRAK4 (0.44) ALDH1A1LMNASMN1; SMN2KDM4EMAPT
SCHEMBL3355907 0.82 ACHE (0.39) ALDH1A1ACHEMAPTSIRT6HIF1A
SCHEMBL3354325 0.82 AVPR1A (0.43) ALDH1A1ACHEPOLBLMNASMN1; SMN2
SCHEMBL3354823 0.82 LMNA (0.43) ALDH1A1ACHELMNASMN1; SMN2MAPT
SCHEMBL3358236 0.81 ALDH1A1 (0.47) ALDH1A1ACHEPOLBLMNASMN1; SMN2
SCHEMBL3352685 0.80 MAPT (0.47) ALDH1A1ACHELMNAMAPTSIRT6
SCHEMBL3357600 0.80 ACHE (0.42) ALDH1A1ACHEPOLBLMNASMN1; SMN2
SCHEMBL3356885 0.78 KDM4E (0.42) ALDH1A1POLBSMN1; SMN2KDM4EMAPT

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