SCHEMBL7448258

SCHEMBL7448258

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 8/20 0.47
MAPT P10636 8/20 0.47
HTT P42858 6/20 0.47
LMNA P02545 6/20 0.47
KDM4E B2RXH2 2/20 0.47
GAA P10253 2/20 0.47
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
POLB P06746 3/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
ALDH1A1 P00352 7/20 0.40
ATM Q13315 1/20 0.40
NR1D1 P20393 1/20 0.39
MITF O75030 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
RAB9A P51151 1/20 0.38
HSP90AA1 P07900 1/20 0.38
CASP3 P42574 1/20 0.38
CASP7 P55210 1/20 0.38
CASP9 P55211 1/20 0.38

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 0.83 MAPT (0.42) SMN1; SMN2MAPTHTTLMNAKDM4E
SCHEMBL5227781 0.81 MAPT (0.40) SMN1; SMN2MAPTHTTLMNAKDM4E
SCHEMBL6678662 0.79 MAPT (0.39) SMN1; SMN2MAPTHTTLMNAKDM4E
SCHEMBL15617562 0.78 MAPT (0.46) SMN1; SMN2MAPTHTTLMNAKDM4E
SCHEMBL5231955 0.73 MEN1 (0.51) SMN1; SMN2MAPTLMNAKDM4EMEN1
SCHEMBL9574960 0.73 DAO (0.41) SMN1; SMN2MAPTLMNAKDM4EGAA
SCHEMBL1483376 0.72 ALDH1A1 (0.55) SMN1; SMN2MAPTHTTLMNAMEN1
SCHEMBL5229628 0.72 SLC9A1 (0.53) SMN1; SMN2MAPTLMNAMEN1KMT2A
SCHEMBL27297730 0.72 MAPT (0.37) SMN1; SMN2MAPTHTTLMNAKDM4E
SCHEMBL17630168 0.72 KDM4E (0.37) SMN1; SMN2MAPTHTTLMNAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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