SCHEMBL7755244

SCHEMBL7755244

N#CC(C(=O)c1ccc(OC(F)(F)F)c([N+](=O)[O-])c1)=C1CCCCN1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.50
HPGD P15428 2/20 0.50
RAB9A P51151 2/20 0.50
NPC1 O15118 1/20 0.50
KMT2A Q03164 5/20 0.47
MAPT P10636 4/20 0.47
MEN1 O00255 3/20 0.47
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.47
ALDH1A1 P00352 3/20 0.33
ATM Q13315 1/20 0.33
ABCB1 P08183 1/20 0.33
GAA P10253 1/20 0.33
ABCG2 Q9UNQ0 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.32
LMNA P02545 5/20 0.32
KDM4E B2RXH2 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
POLB P06746 2/20 0.31
PDK1 Q15118 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
SCHEMBL7755190 0.82 HPGD (0.56) SMN1; SMN2HPGDRAB9ANPC1KMT2A
SCHEMBL6172940 0.77 NPC1 (0.67) SMN1; SMN2HPGDRAB9ANPC1KMT2A
SCHEMBL7083412 0.77 NPC1 (0.67) SMN1; SMN2HPGDRAB9ANPC1KMT2A
SCHEMBL6171653 0.76 MEN1 (0.64) SMN1; SMN2HPGDRAB9ANPC1KMT2A
SCHEMBL7085153 0.76 MEN1 (0.64) SMN1; SMN2HPGDRAB9ANPC1KMT2A
SCHEMBL6112698 0.71 PARP1 (0.55) SMN1; SMN2KMT2AMAPTMEN1ALDH1A1
SCHEMBL2345173 0.70 CASP6 (0.58) HPGDKMT2AMAPTMEN1TSHR
SCHEMBL7086102 0.70 MEN1 (0.69) SMN1; SMN2HPGDRAB9ANPC1KMT2A
SCHEMBL7079886 0.69 NPC1 (0.73) SMN1; SMN2HPGDRAB9ANPC1KMT2A
SCHEMBL6169261 0.69 NPC1 (0.73) SMN1; SMN2HPGDRAB9ANPC1KMT2A

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
WO-2001060797-A1 PHENYL-SUBSTITUTED HETEROCYCLIC ENAMINONES BAYER AKTIENGESELLSCHAFT (DE) 2001-08-23 WO disclosed