SCHEMBL5227781

SCHEMBL5227781

O=C(O)Oc1ccc([N+](=O)[O-])s1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 12/20 0.40
HTT P42858 8/20 0.40
SMN1; SMN2 Q16637 7/20 0.40
LMNA P02545 5/20 0.40
KDM4E B2RXH2 2/20 0.40
GAA P10253 1/20 0.40
ALDH1A1 P00352 8/20 0.40
L3MBTL1 Q9Y468 5/20 0.40
CASP3 P42574 4/20 0.40
SENP8 Q96LD8 4/20 0.40
SENP7 Q9BQF6 4/20 0.40
SENP6 Q9GZR1 4/20 0.40
POLB P06746 3/20 0.40
CASP6 P55212 2/20 0.40
CASP7 P55210 1/20 0.40
CASP9 P55211 1/20 0.40
CASP8 Q14790 1/20 0.40
KMT2A Q03164 4/20 0.39
TP53 P04637 1/20 0.39
ATM Q13315 1/20 0.39

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
SCHEMBL27488869 0.84 MAPT (0.42) MAPTHTTSMN1; SMN2LMNAKDM4E
SCHEMBL6678662 0.84 MAPT (0.39) MAPTHTTSMN1; SMN2LMNAKDM4E
SCHEMBL7448258 0.81 SMN1; SMN2 (0.47) MAPTHTTSMN1; SMN2LMNAKDM4E
SCHEMBL3962151 0.77 DAO (0.31) TP53
SCHEMBL27297730 0.76 MAPT (0.37) MAPTHTTSMN1; SMN2LMNAKDM4E
SCHEMBL15617562 0.75 MAPT (0.46) MAPTHTTSMN1; SMN2LMNAKDM4E
SCHEMBL8644108 0.73 TLR4 (0.40) MAPTHTTSMN1; SMN2LMNAKDM4E
SCHEMBL6261093 0.72 MAPT (0.52) MAPTHTTSMN1; SMN2LMNAKDM4E
SCHEMBL6674607 0.72 ATG4B (0.55) MAPTLMNAALDH1A1L3MBTL1CASP3
SCHEMBL10636900 0.72 MAPT (0.39) MAPTHTTSMN1; SMN2LMNAKDM4E

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1377589-B1 OXAZOLYL-PYRAZOLE DERIVATIVES AS KINASE INHIBITORS PHARMACIA ITALIA SPA (IT) 2005-09-07 EP claimed
EP-3197889-B1 SUBSTITUTED OXOPYRIDINE DERIVATIVES Bayer Pharma AG (DE) 2018-08-01 EP disclosed
EP-3197889-A1 SUBSTITUTED OXOPYRIDINE DERIVATIVES Bayer Pharma Aktiengesellschaft (DE) 2017-08-02 EP disclosed
WO-2016046156-A1 SUBSTITUTED OXOPYRIDINE DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-03-31 WO disclosed
EP-1461335-B1 2-HETEROARYLCARBOXYLIC ACID AMIDES BAYER HEALTHCARE AG (DE) 2007-02-28 EP disclosed
EP-1461335-A1 2-HETEROARYLCARBOXYLIC ACID AMIDES Bayer HealthCare AG (DE) 2004-09-29 EP disclosed
WO-2003055878-A1 2-HETEROARYLCARBOXYLIC ACID AMIDES BAYER HEALTHCARE AG (DE) 2003-07-10 WO disclosed
EP-1173468-A1 INTEGRIN RECEPTOR ANTAGONISTS BASF AKTIENGESELLSCHAFT (DE) 2002-01-23 EP disclosed
WO-2000066618-A1 INTEGRIN RECEPTOR ANTAGONISTS BASF AKTIENGESELLSCHAFT (DE) 2000-11-09 WO disclosed