SCHEMBL28138024

SCHEMBL28138024

O=C(O)Nc1ccc([N+](=O)[O-])c2cccnc12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 16/20 0.64
ALDH1A1 P00352 8/20 0.62
KMT2A Q03164 5/20 0.61
LMNA P02545 5/20 0.61
MEN1 O00255 4/20 0.61
KDM4E B2RXH2 4/20 0.61
CTSB P07858 3/20 0.61
SMN1; SMN2 Q16637 3/20 0.61
HTT P42858 2/20 0.61
NPC1 O15118 1/20 0.61
BRD4 O60885 1/20 0.61
HSP90AA1 P07900 1/20 0.61
CHRM1 P11229 1/20 0.61
DRD2 P14416 1/20 0.61
ALOX12 P18054 1/20 0.61
ADRA2B P18089 1/20 0.61
ADRA2C P18825 1/20 0.61
CHRM3 P20309 1/20 0.61
HTR2C P28335 1/20 0.61
CTH P32929 1/20 0.61

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
SCHEMBL9299649 0.89 MAPT (0.65) MAPTALDH1A1KMT2ALMNAMEN1
SCHEMBL2961445 0.78 MAPT (0.66) MAPTALDH1A1KMT2ALMNAMEN1
SCHEMBL29066533 0.76 KMT2A (0.59) MAPTALDH1A1KMT2ALMNAMEN1
SCHEMBL9545672 0.76 MAPT (0.86) MAPTALDH1A1KMT2ALMNAMEN1
SCHEMBL28778116 0.76 POLB (0.57) MAPTALDH1A1KMT2ALMNAMEN1
SCHEMBL8986382 0.76 SLC40A1 (0.65) MAPTKMT2AMEN1CTSBMETAP2
Nitroxoline SCHEMBL29363027 0.76 MAPT (1.00) MAPTALDH1A1KMT2ALMNAMEN1
SCHEMBL2246159 0.76 KMT2A (1.00) MAPTALDH1A1KMT2ALMNAMEN1
Nitroxoline SCHEMBL151248 0.76 MAPT (1.00) MAPTALDH1A1KMT2ALMNAMEN1
SCHEMBL29066531 0.76 MAPT (0.55) MAPTALDH1A1KMT2ALMNAMEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106565604-A Synthetic method of 5-nitro-8-carboxamidoquinoline compound 河南师范大学 2017-04-19 CN disclosed
CN-106565604-A Synthetic method of 5-nitro-8-carboxamidoquinoline compound 河南师范大学 2017-04-19 CN disclosed