SCHEMBL8547620

SCHEMBL8547620

CCOc1ccc(CCCOc2ncnc3c(F)cccc23)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.50
CYP1A2 P05177 2/20 0.50
CYP2C9 P11712 2/20 0.50
CYP2C19 P33261 2/20 0.50
KDM4E B2RXH2 6/20 0.41
SMN1; SMN2 Q16637 4/20 0.39
TSHR P16473 3/20 0.39
HTT P42858 3/20 0.39
MAPT P10636 3/20 0.39
ALDH1A1 P00352 3/20 0.39
HSD17B10 Q99714 2/20 0.39
HPGD P15428 2/20 0.39
TP53 P04637 1/20 0.39
MAPK1 P28482 1/20 0.39
AURKA O14965 2/20 0.37
RPS6KB1 P23443 1/20 0.37
LMNA P02545 4/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
GALR3 O60755 1/20 0.37

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
SCHEMBL8543586 0.94 RAB9A (0.51) RAB9ACYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL8541119 0.88 SMN1; SMN2 (0.44) RAB9ACYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL9382429 0.86 SMN1; SMN2 (0.43) RAB9ACYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL8548239 0.86 AURKA (0.44) RAB9ACYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL8547543 0.83 HTT (0.34) RAB9ACYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL8547041 0.83 KCNH2 (0.36) RAB9AKDM4ESMN1; SMN2TSHRHTT
SCHEMBL8542280 0.83 AURKA (0.47) RAB9ACYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL8544014 0.80 ELOVL1 (0.39) RAB9ACYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL8542741 0.80 RAB9A (0.78) RAB9ACYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL8541239 0.80 KCNH2 (0.38) RAB9AKDM4ESMN1; SMN2TSHRHTT

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