SCHEMBL5334816

SCHEMBL5334816

O=c1[nH]c2cc(Cl)ccc2c(=O)n1-c1cccc(Cl)c1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.78
GAA P10253 1/20 0.78
ALDH1A1 P00352 3/20 0.67
HPGD P15428 2/20 0.67
SMN1; SMN2 Q16637 1/20 0.67
HIF1A Q16665 1/20 0.67
KMT2A Q03164 2/20 0.60
MEN1 O00255 1/20 0.60
LMNA P02545 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.60
CA9 Q16790 4/20 0.59
CA12 O43570 3/20 0.59
CA1 P00915 2/20 0.57
CA2 P00918 2/20 0.57
TP53 P04637 1/20 0.56
HTT P42858 1/20 0.55
CMA1 P23946 1/20 0.51
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48

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
SCHEMBL8480237 0.91 MEN1 (0.73) KDM4EGAAALDH1A1HPGDSMN1; SMN2
SCHEMBL6980347 0.88 KDM4E (1.00) KDM4EGAAALDH1A1HPGDSMN1; SMN2
SCHEMBL5333099 0.80 KDM4E (0.59) KDM4EGAAALDH1A1HPGDSMN1; SMN2
SCHEMBL10743256 0.78 KDM4E (0.73) KDM4EGAAALDH1A1HPGDSMN1; SMN2
SCHEMBL8883239 0.78 KMT2A (0.63) KDM4EGAAALDH1A1HPGDSMN1; SMN2
SCHEMBL5329928 0.76 CA12 (0.69) KDM4EGAAALDH1A1L3MBTL1CA9
SCHEMBL31145272 0.76 MAT2A (0.76) KDM4EGAAALDH1A1HPGDSMN1; SMN2
SCHEMBL22093264 0.76 MAT2A (0.76) KDM4EGAAALDH1A1HPGDSMN1; SMN2
SCHEMBL9799805 0.75 KDM4E (0.59) KDM4EGAAALDH1A1HPGDSMN1; SMN2
SCHEMBL6974482 0.75 KDM4E (0.78) KDM4EGAAALDH1A1HPGDSMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007028789-A1 QUINAZOLINE DERIVATIVES AS ANTIVIRAL AGENTS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2007-03-15 WO claimed
WO-2007028789-A1 QUINAZOLINE DERIVATIVES AS ANTIVIRAL AGENTS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2007-03-15 WO disclosed