SCHEMBL7411153

SCHEMBL7411153

COc1cc2c(C)nc(=O)n(CCC=O)c2cc1OC

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.34
KDM4E B2RXH2 5/20 0.34
PDE3B Q13370 1/20 0.34
PDE3A Q14432 1/20 0.34
ALDH1A1 P00352 6/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
MAPK1 P28482 1/20 0.34
TNF P01375 2/20 0.33
PDE10A Q9Y233 1/20 0.33
MAT2A P31153 1/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
GAA P10253 3/20 0.33
POLB P06746 1/20 0.33
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
MAPT P10636 2/20 0.32
TP53 P04637 1/20 0.32

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
SCHEMBL7414976 0.81 SRC (0.40) MAT2A
SCHEMBL7403866 0.81 CYP1A2 (0.43) KDM4EALDH1A1SMN1; SMN2MAPK1MEN1
SCHEMBL7407786 0.81 PDE3B (0.36) TDP1KDM4EPDE3BPDE3AALDH1A1
SCHEMBL7412075 0.80 DYRK1A (0.47) PDE3BPDE3ATNF
SCHEMBL10985135 0.78 TNF (0.54) ALDH1A1TNF
SCHEMBL7403886 0.77 ALDH1A1 (0.46) KDM4EALDH1A1SMN1; SMN2MAPK1GAA
SCHEMBL10974103 0.76 TNF (0.61) TNFGAA
SCHEMBL11076393 0.75 ACHE (0.48) TDP1KDM4EALDH1A1SMN1; SMN2MAPK1
SCHEMBL10970598 0.75 TNF (0.57) TNF
SCHEMBL7405673 0.75 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2MAPK1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0107398-B1 ORTHO SUBSTITUTED DIHYDROXY-2(1H)QUINAZOLINONE-1-ALKANOIC ACIDS ORTHO PHARMA CORP (US) 1988-06-08 EP disclosed
US-4631283-A RENAL VASODILATORS, CARDIOVASCULAR AGENTS ORTHO PHARMACEUTICAL CORPORATION (US) 1986-12-23 US disclosed
US-4490374-A CARDIOVASCULAR AGENTS ORTHO PHARMACEUTICAL CORPORATION (US) 1984-12-25 US disclosed
EP-0107398-A1 Ortho substituted dihydroxy-2(1H)quinazolinone-1-alkanoic acids ORTHO PHARMACEUTICAL CORPORATION (US) 1984-05-02 EP disclosed