SCHEMBL8544698

SCHEMBL8544698

c1ccc(-c2ccc(CCOc3ncnc4ccccc34)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.61
NPC1 O15118 2/20 0.61
TSHR P16473 1/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
LMNA P02545 4/20 0.54
CYP1A2 P05177 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
POLB P06746 1/20 0.50
ADORA2A P29274 1/20 0.46
HTT P42858 3/20 0.44
EGFR P00533 1/20 0.44
APP P05067 1/20 0.44
MAPK1 P28482 1/20 0.44
RXFP1 Q9HBX9 1/20 0.43
GABRA1 P14867 1/20 0.43
GABRG2 P18507 1/20 0.43
GABRB3 P28472 1/20 0.43
GABRA3 P34903 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42

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
SCHEMBL8542744 0.92 LMNA (0.60) RAB9ANPC1TSHRL3MBTL1LMNA
SCHEMBL8548739 0.91 RAB9A (0.69) RAB9ANPC1TSHRL3MBTL1LMNA
SCHEMBL8544270 0.87 RAB9A (0.57) RAB9ANPC1TSHRL3MBTL1LMNA
SCHEMBL8546894 0.87 LMNA (0.64) RAB9ANPC1TSHRL3MBTL1LMNA
SCHEMBL8541109 0.86 RAB9A (0.67) RAB9ANPC1TSHRL3MBTL1LMNA
SCHEMBL8542920 0.85 RAB9A (0.57) RAB9ANPC1TSHRL3MBTL1LMNA
SCHEMBL8548256 0.85 RAB9A (0.57) RAB9ANPC1TSHRL3MBTL1LMNA
SCHEMBL9162456 0.85 RAB9A (0.57) RAB9ANPC1TSHRL3MBTL1LMNA
SCHEMBL8542022 0.85 RAB9A (0.59) RAB9ANPC1TSHRL3MBTL1LMNA
SCHEMBL8544725 0.85 LMNA (0.74) RAB9ANPC1TSHRL3MBTL1LMNA

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 6 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 claimed
US-5411963-A Plant fungicides, miticides, insecticides DOWELANCO (US) 1995-05-02 US claimed
EP-0326329-A2 Quinazoline derivatives DowElanco (US) 1989-08-02 EP claimed
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
EP-0326329-A2 Quinazoline derivatives DowElanco (US) 1989-08-02 EP disclosed