SCHEMBL9686660

SCHEMBL9686660

CCn1cc(C)c2nc(N3CCN(Cc4ccccc4)CC3)ncc2c1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 6/20 0.48
LMNA P02545 4/20 0.48
ALDH1A1 P00352 4/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
BRD4 O60885 1/20 0.43
TSHR P16473 5/20 0.42
HPGD P15428 2/20 0.42
GAA P10253 2/20 0.42
HSD17B10 Q99714 1/20 0.42
MAPK1 P28482 3/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
TRPA1 O75762 1/20 0.41
NCF1 P14598 1/20 0.41
KDM4E B2RXH2 2/20 0.41
USP2 O75604 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
SCHEMBL9686146 0.87 HTT (0.46) HTTLMNAALDH1A1SMN1; SMN2NPC1
SCHEMBL9684556 0.82 LMNA (0.51) HTTLMNAALDH1A1SMN1; SMN2NPC1
SCHEMBL9685325 0.79 CYP1A2 (0.46) LMNAALDH1A1SMN1; SMN2TSHRHPGD
SCHEMBL11143648 0.75 LMNA (0.73) LMNAALDH1A1NPSR1HPGDHSD17B10
SCHEMBL9686692 0.74 ABCC1 (0.41) LMNAALDH1A1SMN1; SMN2NPSR1TSHR
SCHEMBL11583159 0.74 LMNA (0.59) LMNAALDH1A1NPSR1TSHRHPGD
SCHEMBL10824274 0.74 NPC1 (0.48) HTTLMNAALDH1A1NPC1RAB9A
SCHEMBL9686594 0.72 HTT (0.52) HTTLMNAALDH1A1SMN1; SMN2NPC1
SCHEMBL9686738 0.72 FNTA (0.44) ALDH1A1NPSR1L3MBTL1HPGDHSD17B10
SCHEMBL11874422 0.71 LMNA (0.57) LMNAALDH1A1NPSR1TSHRHPGD

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