SCHEMBL8540692

SCHEMBL8540692

c1ccc(Oc2ccc(CCCOc3ncnc4ccccc34)cc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.65
NPC1 O15118 1/20 0.65
TSHR P16473 1/20 0.65
L3MBTL1 Q9Y468 1/20 0.65
CYP1A2 P05177 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
LMNA P02545 3/20 0.50
KDR P35968 1/20 0.49
TEK Q02763 1/20 0.49
EGFR P00533 4/20 0.46
POLB P06746 2/20 0.45
PPARG P37231 1/20 0.44
HRH3 Q9Y5N1 1/20 0.43
APP P05067 1/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
RXFP1 Q9HBX9 1/20 0.41
AURKA O14965 1/20 0.41
RPS6KB1 P23443 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
SCHEMBL8541109 0.93 RAB9A (0.67) RAB9ANPC1TSHRL3MBTL1CYP1A2
SCHEMBL27297444 0.89 RAB9A (0.67) RAB9ANPC1TSHRL3MBTL1CYP1A2
SCHEMBL9383475 0.85 LMNA (0.58) RAB9ANPC1TSHRL3MBTL1CYP1A2
SCHEMBL8542741 0.85 RAB9A (0.78) RAB9ANPC1TSHRL3MBTL1CYP1A2
SCHEMBL8547722 0.84 RAB9A (0.65) RAB9ANPC1TSHRL3MBTL1CYP1A2
SCHEMBL9383480 0.84 RAB9A (0.55) RAB9ANPC1TSHRL3MBTL1CYP1A2
SCHEMBL8542382 0.83 RAB9A (0.56) RAB9ANPC1TSHRL3MBTL1CYP1A2
SCHEMBL8547584 0.83 KDR (0.51) RAB9ANPC1TSHRL3MBTL1LMNA
SCHEMBL8543820 0.82 RAB9A (0.62) RAB9ANPC1TSHRL3MBTL1CYP1A2
SCHEMBL8548239 0.81 AURKA (0.44) RAB9ANPC1TSHRL3MBTL1CYP1A2

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 1 patent. 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