SCHEMBL9516435

SCHEMBL9516435

O=C(O[Ti])c1ccc2cccc(O)c2n1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.65
KMT2A Q03164 3/20 0.65
PIM1 P11309 1/20 0.63
METAP2 P50579 2/20 0.47
PLAU P00749 1/20 0.47
NCF1 P14598 1/20 0.47
PDE4D Q08499 2/20 0.47
ALOX12 P18054 3/20 0.46
ALDH1A1 P00352 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
HPGD P15428 1/20 0.46
CYP2C19 P33261 1/20 0.46
HIF1A Q16665 1/20 0.46
HSD17B10 Q99714 1/20 0.46
SOS2 Q07890 1/20 0.44
MMP2 P08253 1/20 0.42
CHRM1 P11229 1/20 0.42
TSHR P16473 1/20 0.42

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
SCHEMBL847651 0.83 KDM4E (0.65) KDM4EKMT2APIM1METAP2PLAU
SCHEMBL1507703 0.80 KDM4E (0.76) KDM4EKMT2APIM1METAP2PLAU
SCHEMBL17652250 0.80 CYP1A2 (0.63) KDM4EKMT2APIM1METAP2PLAU
SCHEMBL29697210 0.79 KDM4E (1.00) KDM4EKMT2APIM1METAP2PLAU
SCHEMBL171491 0.79 KDM4E (1.00) KDM4EKMT2APIM1METAP2PLAU
SCHEMBL7362663 0.78 KDM4E (0.77) KDM4EKMT2APIM1METAP2PDE4D
SCHEMBL11121278 0.78 KDM4E (0.90) KDM4EKMT2APIM1METAP2PLAU
SCHEMBL28949889 0.77 KDM4E (0.96) KDM4EKMT2APIM1METAP2PLAU
SCHEMBL1051386 0.77 KDM4E (0.71) KDM4EKMT2APIM1METAP2PLAU
SCHEMBL29932233 0.77 KDM4E (0.96) KDM4EKMT2APIM1METAP2PLAU

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-0395046-B1 Process for oxidizing saturated primary amines to oximes DONEGANI GUIDO IST (IT) 1993-12-29 EP claimed