SCHEMBL8547722

SCHEMBL8547722

c1ccc(CCCCOc2ncnc3ccccc23)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.65
TSHR P16473 2/20 0.65
NPC1 O15118 2/20 0.65
L3MBTL1 Q9Y468 1/20 0.65
CYP1A2 P05177 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
LMNA P02545 4/20 0.52
HTT P42858 3/20 0.50
EGFR P00533 2/20 0.50
MAPK1 P28482 2/20 0.50
APP P05067 1/20 0.50
POLB P06746 1/20 0.46
HRH4 Q9H3N8 1/20 0.46
GALR3 O60755 2/20 0.45
NR2F2 P24468 2/20 0.45
ALDH1A1 P00352 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
MEN1 O00255 1/20 0.44

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
SCHEMBL27297444 0.95 RAB9A (0.67) RAB9ATSHRNPC1L3MBTL1CYP1A2
SCHEMBL8548739 0.90 RAB9A (0.69) RAB9ATSHRNPC1L3MBTL1CYP1A2
SCHEMBL8547053 0.85 RAB9A (0.51) RAB9ATSHRNPC1L3MBTL1CYP1A2
SCHEMBL8543918 0.85 RAB9A (0.51) RAB9ATSHRNPC1L3MBTL1CYP1A2
SCHEMBL1630083 0.84 RAB9A (0.54) RAB9ATSHRNPC1L3MBTL1CYP1A2
SCHEMBL8540692 0.84 RAB9A (0.65) RAB9ATSHRNPC1L3MBTL1CYP1A2
SCHEMBL1627176 0.84 RAB9A (0.54) RAB9ATSHRNPC1L3MBTL1CYP1A2
SCHEMBL11938506 0.84 RAB9A (0.54) RAB9ATSHRNPC1L3MBTL1CYP1A2
SCHEMBL8542382 0.84 RAB9A (0.56) RAB9ATSHRNPC1L3MBTL1CYP1A2
SCHEMBL28731954 0.83 RAB9A (0.62) RAB9ATSHRNPC1L3MBTL1CYP1A2

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-0326329-B1 Quinazoline derivatives useful as insecticides. DOW AGROSCIENCES LLC (US) 1998-10-28 EP disclosed
US-5411963-A Plant fungicides, miticides, insecticides DOWELANCO (US) 1995-05-02 US disclosed
CN-1035825-A Quinazoline derivant LILLY CO ELI (US) 1989-09-27 CN disclosed