SCHEMBL28854089

SCHEMBL28854089

O=C(O)c1ccc([N+](=O)[O-])c2ccc(Cl)nc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.48
TDP1 Q9NUW8 2/20 0.45
POLB P06746 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
CTSB P07858 3/20 0.44
CTSH P09668 1/20 0.44
HTT P42858 2/20 0.44
TXNRD1 Q16881 4/20 0.43
GSR P00390 3/20 0.43
DTYMK P23919 1/20 0.41
GAA P10253 1/20 0.41
JMJD7 P0C870 1/20 0.40
CASP6 P55212 2/20 0.39
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
BRD4 O60885 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
HSP90AA1 P07900 1/20 0.39
CHRM1 P11229 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
SCHEMBL10705051 0.80 CTSB (0.68) MAPTTDP1POLBL3MBTL1CTSB
SCHEMBL34472362 0.77 CTSB (0.44) MAPTTDP1POLBL3MBTL1CTSB
SCHEMBL28191905 0.77 SMN1; SMN2 (0.56) MAPTTDP1POLBL3MBTL1CTSB
SCHEMBL2961445 0.75 MAPT (0.66) MAPTTDP1L3MBTL1CTSBHTT
SCHEMBL29157027 0.74 MAPT (0.55) MAPTTDP1POLBL3MBTL1HTT
SCHEMBL31444804 0.74 MAPT (0.56) MAPTTDP1POLBL3MBTL1CTSB
SCHEMBL14529874 0.71 POLB (0.49) MAPTTDP1POLBL3MBTL1HTT
SCHEMBL8065104 0.71 TDP1 (0.57) MAPTTDP1DTYMKGAACASP6
SCHEMBL1200287 0.70 ALDH1A1 (0.66) MAPTTDP1POLBL3MBTL1TXNRD1
SCHEMBL30271385 0.70 MAPT (0.53) MAPTTDP1POLBL3MBTL1CTSB

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-105164119-B 5-amino-quinoline-8-carboxamide derivatives as 5-HT4 receptor agonists 苏文生命科学有限公司 2017-12-08 CN disclosed