SCHEMBL30869161

SCHEMBL30869161

CCc1ccc(CC)c([N+](=O)[O-])c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 1/20 0.53
KAT2B Q92831 1/20 0.51
SNCA P37840 2/20 0.45
ALDH1A1 P00352 6/20 0.43
MAPT P10636 5/20 0.43
LMNA P02545 4/20 0.43
KMT2A Q03164 3/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
MEN1 O00255 2/20 0.43
GAA P10253 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
ALPG P10696 1/20 0.43
CYP1A2 P05177 1/20 0.42
HTT P42858 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
POLB P06746 1/20 0.41
NPC1 O15118 1/20 0.40
MAPK1 P28482 1/20 0.40
RAB9A P51151 1/20 0.40
ALOX15 P16050 1/20 0.40

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
SCHEMBL11753424 1.00 PDK1 (0.53) PDK1KAT2BSNCAALDH1A1MAPT
SCHEMBL30869160 1.00 PDK1 (0.53) PDK1KAT2BSNCAALDH1A1MAPT
SCHEMBL12737465 0.91 KAT2B (0.48) PDK1KAT2BSNCAALDH1A1MAPT
SCHEMBL13520160 0.89 ALDH1A1 (0.53) PDK1KAT2BSNCAALDH1A1MAPT
SCHEMBL30242495 0.88 KAT2B (0.46) PDK1KAT2BSNCAALDH1A1MAPT
Ammonia Solution, Strong SCHEMBL5983186 0.88 TSHR (0.47) PDK1KAT2BSNCAALDH1A1MAPT
SCHEMBL9516505 0.88 KAT2B (0.46) PDK1KAT2BSNCAALDH1A1MAPT
SCHEMBL1670611 0.87 PDK1 (0.53) PDK1KAT2BSNCAALDH1A1MAPT
SCHEMBL10959235 0.86 TSHR (0.55) KAT2BALDH1A1MAPTLMNAKMT2A
SCHEMBL13344089 0.84 KAT2B (0.48) PDK1KAT2BSNCAALDH1A1MAPT

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
CN-117924177-A Preparation method of pazopanib intermediate 2, 3-dimethyl-6-amino-2H-indazole and analogues thereof 南京杰运医药科技有限公司 2024-04-26 CN disclosed