SCHEMBL754173

SCHEMBL754173

O=C1NCC(c2ccc(Oc3ccc(F)cc3)nn2)=C1CO

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
MMP13 P45452 8/20 0.33
KDM4E B2RXH2 1/20 0.32
HSPB1 P04792 1/20 0.32
HRH3 Q9Y5N1 2/20 0.31
P2RX3 P56373 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL765660 0.75 CYP4F2 (0.52)
SCHEMBL6810513 0.68 NR3C2 (0.43)
SCHEMBL2489586 0.68 MEN1 (0.35) ALDH1A1L3MBTL1MEN1KMT2AMMP13
SCHEMBL754174 0.68 LIPG (0.46) ALDH1A1L3MBTL1MEN1KMT2AMMP13
SCHEMBL755368 0.66 HRH3 (0.39) ALDH1A1L3MBTL1MEN1KMT2AMMP13
SCHEMBL754143 0.65 PARP1 (0.33) ALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL31132915 0.60 MEN1 (0.48) ALDH1A1L3MBTL1MEN1KMT2AKDM4E
SCHEMBL753246 0.60 MEN1 (0.59) ALDH1A1L3MBTL1MEN1KMT2AKDM4E
SCHEMBL4023471 0.60 BCAT2 (0.67) ALDH1A1L3MBTL1MEN1KMT2AKDM4E
SCHEMBL12937247 0.59 MEN1 (0.53) ALDH1A1L3MBTL1MEN1KMT2AMMP13

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
EP-1422218-B1 ANTIVIRAL AGENT SHIONOGI & CO (JP) 2012-03-21 EP disclosed