SCHEMBL19645249

SCHEMBL19645249

Cc1cc(C(C)C)c([N+](=O)[O-])cc1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 1/20 0.46
CYP1A2 P05177 2/20 0.46
ALDH1A1 P00352 7/20 0.44
TDP1 Q9NUW8 4/20 0.44
MAPT P10636 4/20 0.44
HTT P42858 2/20 0.44
HSP90AA1 P07900 1/20 0.44
PKM P14618 1/20 0.44
HPGD P15428 1/20 0.44
CCR6 P51684 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
NLRP1 Q9C000 1/20 0.44
HSD17B10 Q99714 1/20 0.42
TSHR P16473 5/20 0.41
CYP3A4 P08684 3/20 0.41
RECQL P46063 1/20 0.41
GPR35 Q9HC97 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
MAPK1 P28482 1/20 0.39

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
SCHEMBL30443513 0.90 PDK1 (0.45) PDK1CYP1A2ALDH1A1TDP1MAPT
SCHEMBL18686630 0.85 LMNA (0.50) PDK1CYP1A2ALDH1A1TDP1MAPT
SCHEMBL10937606 0.85 PDK1 (0.50) PDK1CYP1A2ALDH1A1TDP1MAPT
SCHEMBL16687486 0.82 TDP1 (0.43) PDK1CYP1A2ALDH1A1TDP1MAPT
SCHEMBL16284335 0.81 CYP1A2 (0.44) PDK1CYP1A2ALDH1A1TDP1MAPT
SCHEMBL16284333 0.80 CYP1A2 (0.40) PDK1CYP1A2ALDH1A1TDP1MAPT
SCHEMBL16284323 0.80 CYP1A2 (0.40) PDK1CYP1A2ALDH1A1TDP1MAPT
SCHEMBL16284331 0.80 ALDH1A1 (0.42) PDK1CYP1A2ALDH1A1TDP1MAPT
SCHEMBL16284328 0.80 TSHR (0.44) PDK1CYP1A2ALDH1A1TDP1MAPT
SCHEMBL27397497 0.79 PDK1 (0.51) PDK1ALDH1A1MAPTHTTHPGD

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-9832880-B2 Electronic apparatus and method for manufacturing the same Innolux Corporation (TW) 2017-11-28 US disclosed