SCHEMBL8548873

SCHEMBL8548873

COc1ccc(CCOc2ncnc3ccccc23)cc1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.60
CYP1A2 P05177 1/20 0.60
CYP2C9 P11712 1/20 0.60
CYP2C19 P33261 1/20 0.60
NPC1 O15118 2/20 0.58
TSHR P16473 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
POLB P06746 2/20 0.56
EGFR P00533 2/20 0.56
NR2F2 P24468 1/20 0.56
LMNA P02545 3/20 0.51
ALDH1A1 P00352 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
HTT P42858 1/20 0.49
RXFP1 Q9HBX9 2/20 0.47
AURKA O14965 1/20 0.43
RPS6KB1 P23443 1/20 0.43
APP P05067 1/20 0.43
KDR P35968 1/20 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
SCHEMBL8545058 0.88 RAB9A (0.80) RAB9ACYP1A2CYP2C9CYP2C19NPC1
SCHEMBL8546815 0.86 RAB9A (0.69) RAB9ACYP1A2CYP2C9CYP2C19NPC1
SCHEMBL9162673 0.86 RAB9A (0.69) RAB9ACYP1A2CYP2C9CYP2C19NPC1
SCHEMBL8541109 0.86 RAB9A (0.67) RAB9ACYP1A2CYP2C9CYP2C19NPC1
SCHEMBL8542022 0.86 RAB9A (0.59) RAB9ACYP1A2CYP2C9CYP2C19NPC1
SCHEMBL8542920 0.86 RAB9A (0.57) RAB9ACYP1A2CYP2C9CYP2C19NPC1
SCHEMBL8547151 0.85 RAB9A (0.58) RAB9ACYP1A2CYP2C9CYP2C19NPC1
SCHEMBL8548739 0.85 RAB9A (0.69) RAB9ACYP1A2CYP2C9CYP2C19NPC1
SCHEMBL8546894 0.84 LMNA (0.64) RAB9ACYP1A2CYP2C9CYP2C19NPC1
SCHEMBL9383475 0.84 LMNA (0.58) RAB9ACYP1A2CYP2C9CYP2C19NPC1

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 2 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