SCHEMBL177346

SCHEMBL177346

O=C(O)n1nc(C(F)(F)F)c2ccc(OCCN(Cc3ccccc3)CC(O)c3ccc(F)c([N+](=O)[O-])c3)cc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H3 Q13133 9/20 0.37
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 1/20 0.33
MAOB P27338 1/20 0.33
S1PR3 Q99500 1/20 0.32
HCRTR2 O43614 4/20 0.32
THRA P10827 1/20 0.32
THRB P10828 1/20 0.32
NR1H2 P55055 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
NR1I2 O75469 1/20 0.32
MAPT P10636 1/20 0.32
RXRA P19793 1/20 0.32
VHL P40337 1/20 0.32
RECQL P46063 1/20 0.32
BLM P54132 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
ATM Q13315 1/20 0.31
LMNA P02545 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
SCHEMBL257723 0.92 NR1H3 (0.35) NR1H3ALDH1A1KDM4EMAOBS1PR3
SCHEMBL2238632 0.92 NR1H3 (0.35) NR1H3ALDH1A1KDM4EMAOBS1PR3
SCHEMBL177103 0.91 NR1H3 (0.35) NR1H3ALDH1A1KDM4EMAOBS1PR3
SCHEMBL176796 0.91 NR1H3 (0.35) NR1H3ALDH1A1KDM4EMAOBS1PR3
SCHEMBL176959 0.90 NR1H3 (0.37) NR1H3ALDH1A1MAOBS1PR3HCRTR2
SCHEMBL11897468 0.85 MCL1 (0.37) NR1H3NR1H2ATM
SCHEMBL11897466 0.85 MCL1 (0.37) NR1H3NR1H2ATM
SCHEMBL2240516 0.84 NR1H3 (0.33) NR1H3ALDH1A1KDM4EMAOBS1PR3
SCHEMBL176902 0.84 NR1H3 (0.33) NR1H3ALDH1A1KDM4EMAOBS1PR3
SCHEMBL2303787 0.84 MCL1 (0.34) NR1H3ALDH1A1KDM4EMAOBS1PR3

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