SCHEMBL9684377

SCHEMBL9684377

CCn1cc(C=O)c2nc(N3CCN(C(=O)OCc4ccccc4)CC3)ncc2c1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 1/20 0.42
KDM4E B2RXH2 5/20 0.41
MAPK1 P28482 1/20 0.41
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
NPSR1 Q6W5P4 2/20 0.40
MAPT P10636 1/20 0.40
ATM Q13315 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
ENPP2 Q13822 3/20 0.38
HDAC1 Q13547 1/20 0.38
SLC29A1 Q99808 1/20 0.38
LMNA P02545 1/20 0.38
CASP1 P29466 1/20 0.38
CYP2C9 P11712 1/20 0.38
FNTA P49354 1/20 0.37
FNTB P49356 1/20 0.37

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
SCHEMBL9686738 0.86 FNTA (0.44) PTPN11KDM4EMAPK1MEN1KMT2A
SCHEMBL9686692 0.71 ABCC1 (0.41) KDM4EMAPK1MEN1KMT2AALDH1A1
SCHEMBL16651754 0.70 HDAC1 (0.56) PTPN11MEN1KMT2ANPSR1HDAC1
SCHEMBL15344316 0.70 HDAC1 (0.55) PTPN11MEN1KMT2ANPSR1HDAC1
SCHEMBL20425032 0.70 MEN1 (0.53) PTPN11MEN1KMT2ANPSR1HDAC1
SCHEMBL15344305 0.69 HDAC1 (0.54) PTPN11MEN1KMT2ANPSR1HDAC1
SCHEMBL16651298 0.68 HDAC1 (0.53) PTPN11MAPK1MEN1KMT2AALDH1A1
SCHEMBL16652543 0.68 MEN1 (0.48) PTPN11MEN1KMT2AHPGDNPSR1
SCHEMBL4498884 0.68 ACHE (0.52) PTPN11KDM4EMAPK1MEN1KMT2A
SCHEMBL31286939 0.68 GPR119 (0.52) KDM4EMEN1KMT2ANPSR1HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0188094-B1 QUINAZOLINE DERIVATIVES AND ANTIHYPERTENSIVE PREPARATIONS CONTAINING SAME AS EFFECTIVE COMPONENTS MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1992-03-18 EP disclosed
US-4734418-A Quinazoline compounds and antihypertensives MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1988-03-29 US disclosed
EP-0188094-A2 Quinazoline derivatives and antihypertensive preparations containing same as effective components MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1986-07-23 EP disclosed