SCHEMBL8434817

SCHEMBL8434817

O=[N+]([O-])c1ccccc1C1(N=Nc2ccccc2O)C=C(CCCCO)C=CC1O

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL8435057 0.97 KDM4E (0.31) KDM4EALDH1A1SMN1; SMN2
SCHEMBL8438002 0.94 PTPN11 (0.30)
SCHEMBL8440442 0.83 MEN1 (0.36)
SCHEMBL8440144 0.77 PLAU (0.35) KDM4ESMN1; SMN2
SCHEMBL7566189 0.67 PTPN11 (0.42) KDM4EALDH1A1SMN1; SMN2
SCHEMBL7566182 0.67 PTPN11 (0.42) KDM4EALDH1A1SMN1; SMN2
SCHEMBL7568855 0.64 PTPN11 (0.43) KDM4EALDH1A1SMN1; SMN2
SCHEMBL7568853 0.64 PTPN11 (0.43) KDM4EALDH1A1SMN1; SMN2
SCHEMBL24213305 0.62 NPC1 (0.59) KDM4ESMN1; SMN2
SCHEMBL5838349 0.62 NPC1 (0.59) KDM4ESMN1; SMN2

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
US-5922882-A ULTRAVIOLET RADIATION ABSORBER; COPOLYMERIZATION COMPONENT OF BISBENZOTRIAZOLE COMPRISING A COPOLYCARBONATE, A COPOLYESTER, A COPOLYURETHANE AND A COPOLYURETHANEURA OTSUKA KAGAKU KABUSHIKI KAISHA (JP) 1999-07-13 US disclosed