SCHEMBL14157000

SCHEMBL14157000

O=c1c(Oc2ccc([N+](=O)[O-])c(OCc3ccccc3)c2)c(C(F)(F)F)oc2cc(O)ccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.56
▸ ESR1 P03372 4/20 0.55
▸ ESR2 Q92731 3/20 0.55
▸ TTR P02766 1/20 0.54
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ POLB P06746 1/20 0.47
▸ ALDH1A1 P00352 8/20 0.44
▸ HTT P42858 2/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ MAPT P10636 4/20 0.43
▸ KDM4E B2RXH2 3/20 0.43
▸ HPGD P15428 3/20 0.43
▸ GLA P06280 2/20 0.43
▸ GAA P10253 2/20 0.43
▸ THRB P10828 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43

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
SCHEMBL14156942 0.85 LMNA (0.64) LMNAESR1ESR2TTRMEN1
SCHEMBL14156997 0.83 LMNA (0.62) LMNAESR1ESR2TTRMEN1
SCHEMBL14157131 0.81 LMNA (0.62) LMNAESR1ESR2TTRMEN1
SCHEMBL27225472 0.78 LMNA (0.79) LMNAESR1ESR2TTRMEN1
SCHEMBL14157030 0.77 LMNA (0.73) LMNAESR1ESR2TTRMEN1
SCHEMBL7552860 0.74 MEN1 (0.53) MEN1KMT2APOLBNPC1RAB9A
SCHEMBL14158220 0.73 LMNA (0.77) LMNAESR1ESR2TTRMEN1
SCHEMBL14156914 0.73 LMNA (1.00) LMNAESR1ESR2TTRMEN1
SCHEMBL7795079 0.72 MEN1 (0.40) MEN1KMT2APOLBNPC1RAB9A
SCHEMBL1040246 0.72 CTSV (0.51) MEN1KMT2APOLBNPC1RAB9A

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-2012170371-A1 COMPOUNDS AS S-NITROSOGLUTATHIONE REDUCTASE INHIBITORS N30 PHARMACEUTICALS, LLC (US) 2012-12-13 — — WO disclosed
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