SCHEMBL4722328

SCHEMBL4722328

COc1cc(OC)cc(-c2c3c(cn(-c4cc([N+](=O)[O-])ccc4C(F)(F)F)c2=O)CCC3)c1

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
MAPT P10636 8/20 0.33
ALDH1A1 P00352 4/20 0.33
PTGS1 P23219 1/20 0.32
PTGS2 P35354 1/20 0.32
LMNA P02545 4/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
SNCA P37840 1/20 0.31
KDM4E B2RXH2 1/20 0.31
POLB P06746 1/20 0.31
APEX1 P27695 1/20 0.31
CASP6 P55212 1/20 0.31
CTDSP1 Q9GZU7 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
HTT P42858 2/20 0.31
MAPK1 P28482 1/20 0.31

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
SCHEMBL4719504 0.85 MEN1 (0.34) MEN1KMT2AMAPTALDH1A1PTGS1
SCHEMBL4720890 0.85 EGFR (0.33)
SCHEMBL4724145 0.85 F10 (0.32)
SCHEMBL14101834 0.83 F2 (0.36) MEN1KMT2AMAPTLMNAPOLB
SCHEMBL14101833 0.83
SCHEMBL4720328 0.80 POLB (0.36) KMT2AALDH1A1LMNASMN1; SMN2POLB
SCHEMBL4718937 0.77 P2RX7 (0.38)
SCHEMBL4718933 0.77 P2RX7 (0.38)
SCHEMBL4766122 0.74 POLB (0.37) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL4720663 0.73 PDE4A (0.36) MEN1KMT2AMAPTALDH1A1LMNA

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-1953147-A1 HETEROCYCLIC COMPOUND AND MEDICINAL APPLICATION THEREOF Japan Tobacco, Inc. (JP) 2008-08-06 EP disclosed