SCHEMBL9745746

SCHEMBL9745746

FC(F)(F)c1cc2ccccc2nc1Oc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.53
CYP1A2 P05177 2/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
MAPT P10636 4/20 0.44
HPGD P15428 3/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ABCG2 Q9UNQ0 2/20 0.43
LMNA P02545 2/20 0.43
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
BACE1 P56817 1/20 0.41
HTT P42858 1/20 0.41
F10 P00742 1/20 0.40
GLA P06280 2/20 0.40
KMT2A Q03164 2/20 0.40
ACHE P22303 1/20 0.39
HRH4 Q9H3N8 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL25430536 0.77 SLC22A12 (0.40) RAB9AMAPTHPGDKDM4EALDH1A1
SCHEMBL2270136 0.76 RAB9A (0.44) RAB9ACYP1A2CYP2C9CYP2C19MAPT
SCHEMBL27906795 0.76 HRH4 (0.47) RAB9ACYP1A2CYP2C9CYP2C19MAPT
SCHEMBL29287106 0.75 MAPT (0.45) RAB9ACYP1A2CYP2C9CYP2C19MAPT
SCHEMBL28328029 0.75 LMNA (0.53) RAB9ACYP1A2CYP2C9CYP2C19MAPT
SCHEMBL28691330 0.75 ALDH1A1 (0.45) RAB9ACYP1A2CYP2C9CYP2C19MAPT
SCHEMBL27910966 0.75 ALDH1A1 (0.50) RAB9ACYP1A2CYP2C9CYP2C19MAPT
SCHEMBL14280985 0.74 RAB9A (0.49) RAB9ACYP1A2CYP2C9CYP2C19MAPT
SCHEMBL20540182 0.72 HTT (0.57) RAB9ACYP1A2CYP2C9CYP2C19MAPT
SCHEMBL8701501 0.72 MAPT (0.48) CYP1A2CYP2C9CYP2C19MAPTHPGD

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
US-5145843-A For plants DOWELANCO (US) 1992-09-08 US disclosed