SCHEMBL9686772

SCHEMBL9686772

CCCCNC(=O)c1cnc(N2CCNCC2)nc1C

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.49
MAPT P10636 5/20 0.47
POLB P06746 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TYRO3 Q06418 1/20 0.42
MERTK Q12866 1/20 0.42
GAS6 Q14393 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
CASP1 P29466 1/20 0.41
CYP2C19 P33261 1/20 0.41
CASP7 P55210 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL9686641 0.80 TRPA1 (0.57) HDAC6MAPTTYRO3MERTKGAS6
SCHEMBL1015708 0.77 POLB (0.52) MAPTPOLBSMN1; SMN2KDM4EALDH1A1
SCHEMBL9685127 0.77 HDAC6 (0.43) HDAC6MAPTPOLBSMN1; SMN2ALDH1A1
SCHEMBL1015713 0.73 HSD11B1 (0.53) POLBTYRO3MERTKGAS6
SCHEMBL25064564 0.72 PTPN11 (0.48) HDAC6
SCHEMBL1015086 0.71 HSD11B1 (0.52) MAPTPOLBSMN1; SMN2
SCHEMBL1014389 0.71 POLB (0.53) MAPTPOLBSMN1; SMN2
SCHEMBL1822766 0.71 ATF1 (0.46) HDAC6POLBKDM4EALDH1A1HPGD
SCHEMBL1016067 0.71 PDE5A (0.48) TYRO3MERTKGAS6
SCHEMBL9684571 0.70 ADORA3 (0.49) MAPTPOLBSMN1; SMN2KDM4EALDH1A1

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