SCHEMBL27724976

SCHEMBL27724976

O=C(O)c1cc(Oc2ccc([N+](=O)[O-])cc2)ccn1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
KDM4E B2RXH2 1/20 0.58
SRD5A2 P31213 1/20 0.55
MCL1 Q07820 1/20 0.54
RAB9A P51151 2/20 0.49
NPC1 O15118 1/20 0.49
MAPT P10636 1/20 0.49
MAPK1 P28482 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
MYOC Q99972 1/20 0.49
ALDH1A1 P00352 1/20 0.48
HSPB1 P04792 1/20 0.47
FFAR1 O14842 1/20 0.47
PYGL P06737 3/20 0.46
PYGM P11217 3/20 0.46
CHEK2 O96017 1/20 0.46
LPAR1 Q92633 1/20 0.45
LPAR5 Q9H1C0 1/20 0.45
LPAR3 Q9UBY5 1/20 0.45

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
SCHEMBL28335276 0.87 MEN1 (0.50) MEN1KMT2AKDM4ESRD5A2MCL1
SCHEMBL3639473 0.86 KDM4E (0.52) KDM4EMCL1MAPTALDH1A1PYGL
SCHEMBL27668680 0.84 KDM4E (0.54) MEN1KMT2AKDM4ESRD5A2MCL1
SCHEMBL13648145 0.84 KDR (0.61) MEN1KMT2AMAPK1
SCHEMBL4373826 0.82 AURKB (0.43) MEN1KMT2AKDM4EMCL1MAPT
SCHEMBL3551485 0.82 KDM4E (0.45) MEN1KMT2AKDM4ESRD5A2MCL1
SCHEMBL28329712 0.82 GAA (0.53) MEN1KMT2AKDM4ERAB9AMAPT
SCHEMBL27668740 0.82 PYGL (0.51) MEN1KMT2AKDM4EMAPTMAPK1
SCHEMBL858556 0.81 PYGL (0.42) MEN1KMT2AKDM4EMCL1MAPT
SCHEMBL15221593 0.81 TSHR (0.50) MEN1KMT2AKDM4ERAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110642837-B Pyridine amide compound containing triazole or quinolinone structure and application thereof 江西科技师范大学 2023-03-21 CN disclosed
CN-110642837-A Pyridine amide compound containing triazole or quinolinone structure and application thereof 江西科技师范大学 2020-01-03 CN disclosed
CN-110563697-A preparation and application of 2-pyridine carboxamide compound 江西科技师范大学 2019-12-13 CN disclosed
CN-101198590-B pyridine derivative and pyrimidine derivative (3) EISAI R&D MAN CO LTD 2012-05-09 CN disclosed
CN-101198590-A Novel pyridine derivative and pyrimidine derivative (3) EISAI R&D MAN CO LTD (JP) 2008-06-11 CN disclosed