SCHEMBL176796

SCHEMBL176796

Cc1nn(C(=O)O)c2cc(OCCN(Cc3ccccc3)CC(O)c3ccc(F)c([N+](=O)[O-])c3)ccc12

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NR1H3 Q13133 5/20 0.35
MAOB P27338 1/20 0.34
HCRTR2 O43614 4/20 0.34
S1PR3 Q99500 1/20 0.34
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPK1 P28482 1/20 0.33
HTR1A P08908 1/20 0.33
HTR1D P28221 1/20 0.33
HTR1B P28222 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ATM Q13315 1/20 0.33
PLA2G4A P47712 1/20 0.32

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
SCHEMBL177103 1.00 NR1H3 (0.35) NR1H3MAOBHCRTR2S1PR3MEN1
SCHEMBL176902 0.92 NR1H3 (0.33) NR1H3MAOBHCRTR2S1PR3MEN1
SCHEMBL2240516 0.92 NR1H3 (0.33) NR1H3MAOBHCRTR2S1PR3MEN1
SCHEMBL176959 0.92 NR1H3 (0.37) NR1H3MAOBHCRTR2S1PR3ALDH1A1
SCHEMBL176906 0.91 ATM (0.39) NR1H3MAOBHCRTR2MEN1KMT2A
SCHEMBL2240314 0.91 ATM (0.39) NR1H3MAOBHCRTR2MEN1KMT2A
SCHEMBL177346 0.91 NR1H3 (0.37) NR1H3MAOBHCRTR2S1PR3MEN1
SCHEMBL257723 0.84 NR1H3 (0.35) NR1H3MAOBHCRTR2S1PR3KDM4E
SCHEMBL2303790 0.84 MCL1 (0.34) NR1H3MAOBHCRTR2S1PR3MEN1
SCHEMBL2303787 0.84 MCL1 (0.34) NR1H3MAOBHCRTR2S1PR3MEN1

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-2345644-A1 INDAZOLE COMPOUND Asahi Kasei Pharma Corporation (JP) 2011-07-20 EP disclosed