SCHEMBL7457148

SCHEMBL7457148

COC(=O)CCn1c(=O)ncc2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 1/20 0.47
KDM4E B2RXH2 5/20 0.47
ALDH1A1 P00352 3/20 0.47
HSD17B10 Q99714 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
CASP3 P42574 1/20 0.42
P2RX3 P56373 2/20 0.40
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40
KMT2A Q03164 2/20 0.40
CDK4 P11802 1/20 0.40
CCND1 P24385 1/20 0.40
CCND2 P30279 1/20 0.40
CCND3 P30281 1/20 0.40
KMO O15229 1/20 0.40

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
SCHEMBL10621833 0.83 KMO (0.57) KDM4EALDH1A1SMN1; SMN2KMT2AKMO
SCHEMBL7405772 0.82 DYRK1A (0.51) KDM4EALDH1A1HSD17B10SMN1; SMN2P2RX3
SCHEMBL7414631 0.82 DYRK1A (0.54) P2RX3MTNR1AMTNR1BKMO
Iodide SCHEMBL10619045 0.82 KMO (0.56) KDM4EALDH1A1SMN1; SMN2KMT2AKMO
SCHEMBL10741293 0.80 DYRK1A (0.38) CTNNB1KDM4EALDH1A1HSD17B10P2RX3
SCHEMBL9540156 0.78 POLB (0.45) KDM4EALDH1A1HSD17B10SMN1; SMN2KMT2A
SCHEMBL11681610 0.76 KDM4E (0.62) KDM4EALDH1A1HSD17B10SMN1; SMN2KMT2A
SCHEMBL15478286 0.76 KDM4E (0.41) KDM4EALDH1A1HSD17B10SMN1; SMN2KMO
SCHEMBL14374704 0.75 CTNNB1 (0.53) CTNNB1KDM4EALDH1A1SMN1; SMN2CASP3
SCHEMBL4795814 0.75 ALDH1A1 (0.46) KDM4EALDH1A1HSD17B10KMT2ACDK4

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