SCHEMBL3357600

SCHEMBL3357600

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.42
PIK3CD O00329 1/20 0.40
PIK3R1 P27986 1/20 0.40
PIK3CA P42336 1/20 0.40
PIK3CG P48736 1/20 0.40
AVPR1A P37288 1/20 0.40
PKM P14618 1/20 0.39
ALDH1A1 P00352 10/20 0.38
KMT2A Q03164 2/20 0.38
POLB P06746 1/20 0.38
LMNA P02545 4/20 0.38
GAA P10253 1/20 0.38
HTT P42858 1/20 0.37
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
HIF1A Q16665 1/20 0.37
WDR5 P61964 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
HTR6 P50406 1/20 0.36

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
SCHEMBL3354325 0.88 AVPR1A (0.43) ACHEPIK3CDPIK3R1PIK3CAPIK3CG
SCHEMBL3358236 0.87 ALDH1A1 (0.47) ACHEPIK3CDPIK3R1PIK3CAPIK3CG
SCHEMBL3352488 0.82 AVPR1A (0.42) AVPR1AALDH1A1KMT2AHTR6MEN1
SCHEMBL13537313 0.81 AVPR1A (0.41) AVPR1AALDH1A1HTR6
SCHEMBL3354484 0.80 ALDH1A1 (0.41) ACHEPKMALDH1A1KMT2APOLB
SCHEMBL3357241 0.80 ACHE (0.41) ACHEPIK3CDPIK3R1PIK3CAPIK3CG
SCHEMBL3355435 0.78 ALDH1A1 (0.42) ACHEPKMALDH1A1KMT2ALMNA
SCHEMBL3355907 0.77 ACHE (0.39) ACHEPKMALDH1A1HIF1A
SCHEMBL3354823 0.77 LMNA (0.43) ACHEALDH1A1KMT2ALMNAGAA
SCHEMBL3352685 0.75 MAPT (0.47) ACHEALDH1A1LMNATDP1HIF1A

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