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SCHEMBL176959

SCHEMBL176959

COc1nn(C(=O)O)c2cc(OCCN(Cc3ccccc3)CC(O)c3ccc(F)c([N+](=O)[O-])c3)ccc12

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ NR1H3 Q13133 5/20 0.37
▸ HCRTR2 O43614 8/20 0.36
▸ MAOB P27338 1/20 0.34
▸ S1PR3 Q99500 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.32
▸ LMNA P02545 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ ATM Q13315 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
SCHEMBL2239287 0.92 NR1H3 (0.35) NR1H3HCRTR2MAOBS1PR3
SCHEMBL2239291 0.92 NR1H3 (0.35) NR1H3HCRTR2MAOBS1PR3
SCHEMBL177347 0.92 ATM (0.38) NR1H3HCRTR2MAOBALDH1A1LMNA
SCHEMBL177103 0.92 NR1H3 (0.35) NR1H3HCRTR2MAOBS1PR3ALDH1A1
SCHEMBL176796 0.92 NR1H3 (0.35) NR1H3HCRTR2MAOBS1PR3ALDH1A1
SCHEMBL177346 0.90 NR1H3 (0.37) NR1H3HCRTR2MAOBS1PR3ALDH1A1
SCHEMBL2239879 0.84 MCL1 (0.37) NR1H3HCRTR2ATM
SCHEMBL2239875 0.84 MCL1 (0.37) NR1H3HCRTR2ATM
SCHEMBL2240516 0.84 NR1H3 (0.33) NR1H3HCRTR2MAOBS1PR3ALDH1A1
SCHEMBL176902 0.84 NR1H3 (0.33) NR1H3HCRTR2MAOBS1PR3ALDH1A1

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