SCHEMBL14236263

SCHEMBL14236263

Cn1ncc(C(C)(C)C)c1-c1ccccc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.41
ALDH1A1 P00352 1/20 0.41
HIF1A Q16665 1/20 0.41
MAPT P10636 2/20 0.40
KDM4E B2RXH2 1/20 0.40
HSD11B1 P28845 1/20 0.39
GAA P10253 2/20 0.38
PKM P14618 1/20 0.38
POLB P06746 1/20 0.38
LMNA P02545 1/20 0.37
HPGD P15428 1/20 0.37
HTT P42858 1/20 0.37
ATM Q13315 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MGAM O43451 1/20 0.37
SI P14410 1/20 0.37
MGAM2 Q2M2H8 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HSD17B10 Q99714 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
SCHEMBL14214071 0.83 TDP1 (0.44) TDP1ALDH1A1HIF1AMAPTKDM4E
SCHEMBL14214068 0.79 TDP1 (0.38) TDP1ALDH1A1HIF1AMAPTKDM4E
SCHEMBL14235850 0.75 HIF1A (0.42) TDP1ALDH1A1HIF1AMAPTKDM4E
SCHEMBL14235851 0.74 HIF1A (0.43) ALDH1A1HIF1AMAPTKDM4EGAA
SCHEMBL14235849 0.73 ALDH1A1 (0.42) TDP1ALDH1A1HSD11B1GAAPOLB
SCHEMBL12859306 0.71 NTRK1 (0.40) ALDH1A1HIF1AMAPTKDM4ELMNA
SCHEMBL6365979 0.70 ALDH1A1 (0.49) TDP1ALDH1A1MAPTHSD11B1GAA
SCHEMBL419987 0.69 NPSR1 (0.59) TDP1ALDH1A1HTTSMN1; SMN2NPSR1
SCHEMBL30486812 0.69 NPSR1 (0.59) TDP1ALDH1A1HTTSMN1; SMN2NPSR1
SCHEMBL6372007 0.68 HSD11B1 (0.48) TDP1ALDH1A1MAPTHSD11B1GAA

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
US-8329703-B2 Pyrazole compounds XTL BIOPHARMACEUTICALS LTD. (IL) 2012-12-11 US disclosed