SCHEMBL28393752

SCHEMBL28393752

Cc1cccc(Nc2ncc([N+](=O)[O-])cn2)c1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.75
MAPT P10636 5/20 0.52
MEN1 O00255 4/20 0.52
KMT2A Q03164 4/20 0.52
TSHR P16473 1/20 0.51
ACHE P22303 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
HPGD P15428 2/20 0.51
AURKA O14965 1/20 0.51
NPC1 O15118 1/20 0.51
STAT1 P42224 1/20 0.51
ALOX5 P09917 2/20 0.51
PTGES O14684 1/20 0.51
CDK5 Q00535 3/20 0.49
CDK5R1 Q15078 3/20 0.49
CCNA2 P20248 2/20 0.49
CDK2 P24941 2/20 0.49
LMNA P02545 1/20 0.49
ALDH1A1 P00352 1/20 0.48
CDK1 P06493 1/20 0.48

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
SCHEMBL2497826 0.81 MEN1 (0.71) RAB9AMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL21443485 0.81 AURKA (0.62) RAB9ASMN1; SMN2AURKANPC1CDK5
SCHEMBL17364440 0.80 TSHR (0.70) RAB9AMAPTMEN1KMT2ATSHR
SCHEMBL7128152 0.78 HPGD (0.66) RAB9AMAPTMEN1KMT2ATSHR
SCHEMBL9186456 0.78 RAB9A (0.61) RAB9AMAPTMEN1KMT2ATSHR
SCHEMBL5419878 0.78 GSK3B (0.61) RAB9AMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL5996779 0.77 CYP11B1 (0.54) RAB9AMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL29953075 0.76 AURKA (0.54) RAB9AMAPTSMN1; SMN2AURKANPC1
SCHEMBL3949026 0.76 NFKB1 (0.61) SMN1; SMN2AURKACDK5CDK5R1CCNA2
SCHEMBL2285411 0.75 ABL1 (0.69) RAB9AMAPTMEN1KMT2ASMN1; SMN2

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-108148005-B O-aminophenol derivatives and preparation method thereof 暨南大学 2020-04-14 CN disclosed