SCHEMBL29201792

SCHEMBL29201792

COc1ccc(N=C(C)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.52
MAPT P10636 6/20 0.51
MAPK1 P28482 3/20 0.51
ALDH1A1 P00352 3/20 0.51
TDP1 Q9NUW8 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
NPSR1 Q6W5P4 2/20 0.49
GAA P10253 2/20 0.49
HTT P42858 1/20 0.49
NOS1 P29475 2/20 0.46
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
NPC1 O15118 3/20 0.45
RAB9A P51151 2/20 0.45
CTSV O60911 1/20 0.44
CTSL P07711 1/20 0.44
HSP90AA1 P07900 1/20 0.44
PKM P14618 1/20 0.44
PAX8 Q06710 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.43

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
SCHEMBL15322852 0.79 NOS1 (0.54) MAPTMAPK1ALDH1A1NPSR1GAA
SCHEMBL15322849 0.79 NOS1 (0.54) MAPTMAPK1ALDH1A1NPSR1GAA
SCHEMBL15323693 0.77 MAPT (0.57) MAPTALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL15323697 0.77 MAPT (0.57) MAPTALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL29201789 0.76 ALDH1A1 (0.51) KDM4EMAPTMAPK1ALDH1A1TDP1
SCHEMBL2862977 0.75 KDM4E (0.53) KDM4EMAPTMAPK1ALDH1A1TDP1
SCHEMBL13025195 0.75 KDM4E (0.53) KDM4EMAPTMAPK1ALDH1A1TDP1
SCHEMBL2862976 0.75 KDM4E (0.53) KDM4EMAPTMAPK1ALDH1A1TDP1
SCHEMBL2309322 0.74 KMT2A (0.73) KDM4EMAPTMAPK1ALDH1A1TDP1
SCHEMBL2867063 0.71 CES2 (0.59) KDM4EMAPTMAPK1ALDH1A1TDP1

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