SCHEMBL11249530

SCHEMBL11249530

O=C(O)C=Cc1ccc([N+](=O)[O-])c(F)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G4A P47712 1/20 0.52
MAPT P10636 4/20 0.50
TDP1 Q9NUW8 3/20 0.50
ATM Q13315 1/20 0.50
KDM4E B2RXH2 4/20 0.47
KMT2A Q03164 4/20 0.47
HSD17B10 Q99714 3/20 0.47
ALDH1A1 P00352 3/20 0.47
HPGD P15428 3/20 0.47
MAPK1 P28482 3/20 0.47
MEN1 O00255 3/20 0.47
BACE1 P56817 2/20 0.47
LMNA P02545 2/20 0.47
CA12 O43570 2/20 0.47
AKR1B10 O60218 2/20 0.47
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CA3 P07451 2/20 0.47
AKR1B1 P15121 2/20 0.47
CA4 P22748 2/20 0.47

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
SCHEMBL3608478 1.00 PLA2G4A (0.52) PLA2G4AMAPTTDP1ATMKDM4E
SCHEMBL3608483 1.00 PLA2G4A (0.52) PLA2G4AMAPTTDP1ATMKDM4E
SCHEMBL1903142 0.88 PLA2G4A (0.59) PLA2G4AMAPTTDP1KDM4EKMT2A
SCHEMBL31697463 0.88 PLA2G4A (0.59) PLA2G4AMAPTTDP1KDM4EKMT2A
SCHEMBL15709537 0.88 PLA2G4A (0.59) PLA2G4AMAPTTDP1KDM4EKMT2A
SCHEMBL1903144 0.88 PLA2G4A (0.59) PLA2G4AMAPTTDP1KDM4EKMT2A
SCHEMBL2264118 0.83 KDM4E (0.62) PLA2G4AMAPTTDP1KDM4EKMT2A
SCHEMBL2264126 0.83 KDM4E (0.62) PLA2G4AMAPTTDP1KDM4EKMT2A
SCHEMBL30680738 0.82 TTR (0.52) MAPTTDP1ATMKDM4EKMT2A
SCHEMBL7750518 0.82 TTR (0.52) MAPTTDP1ATMKDM4EKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117177970-A Polycyclic derivative regulator, preparation method and application thereof 上海翰森生物医药科技有限公司 2023-12-05 CN disclosed
US-4333940-A Ring-fluorinated 4-(monosubstituted-amino) phenyl compounds in inhibiting atherosclerotic lesion development AMERICAN CYANAMID COMPANY (US) 1982-06-08 US disclosed
US-4243609-A ANTILIPEMIC AGENTS, ANTIATHEROSCLEROTIC AGENTS AMERICAN CYANAMID COMPANY (US) 1981-01-06 US disclosed
EP-0003663-A2 Amino-substituted phenyl and heteroaryl compounds, process for their preparation and pharmaceutical compositions containing them AMERICAN CYANAMID COMPANY (US) 1979-08-22 EP disclosed