SCHEMBL9686619

SCHEMBL9686619

CCCCN1Cc2nc(N3CCN(Cc4ccccc4)CC3)ncc2C1=O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 7/20 0.58
HTT P42858 6/20 0.58
ALDH1A1 P00352 6/20 0.50
TSHR P16473 4/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
HPGD P15428 2/20 0.50
GAA P10253 1/20 0.50
HSD17B10 Q99714 1/20 0.50
MAPT P10636 2/20 0.48
USP2 O75604 2/20 0.48
NPSR1 Q6W5P4 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
TP53 P04637 1/20 0.44
MAPK1 P28482 3/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
POLB P06746 1/20 0.41
TRPA1 O75762 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 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
SCHEMBL9686172 0.94 LMNA (0.60) LMNAHTTALDH1A1TSHRSMN1; SMN2
SCHEMBL9685234 0.90 HTT (0.62) LMNAHTTALDH1A1TSHRSMN1; SMN2
SCHEMBL8898023 0.85 HTT (0.64) LMNAHTTALDH1A1TSHRSMN1; SMN2
SCHEMBL9684514 0.82 LMNA (0.67) LMNAHTTALDH1A1TSHRSMN1; SMN2
SCHEMBL8815121 0.82 HTT (0.58) LMNAHTTALDH1A1TSHRSMN1; SMN2
SCHEMBL8809481 0.82 HTT (0.53) LMNAHTTALDH1A1TSHRSMN1; SMN2
SCHEMBL9686720 0.81 HTT (0.61) LMNAHTTALDH1A1TSHRSMN1; SMN2
SCHEMBL8808754 0.81 HTT (0.64) LMNAHTTALDH1A1TSHRSMN1; SMN2
SCHEMBL9685116 0.80 HTT (0.63) LMNAHTTALDH1A1TSHRSMN1; SMN2
SCHEMBL8811620 0.80 HTT (0.58) LMNAHTTALDH1A1TSHRSMN1; 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 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