SCHEMBL3434650

SCHEMBL3434650

Nc1nc(OCc2ccc(F)cc2)nc(COCc2ccccc2)c1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 4/20 0.42
LTA4H P09960 1/20 0.40
MAPK14 Q16539 1/20 0.40
TSHR P16473 3/20 0.40
ALDH1A1 P00352 2/20 0.40
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2D6 P10635 1/20 0.40
HPGD P15428 1/20 0.40
MAPK1 P28482 1/20 0.40
CYP2C19 P33261 1/20 0.40
MGMT P16455 2/20 0.40
MAOB P27338 2/20 0.39
TLR7 Q9NYK1 1/20 0.39
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39
USP2 O75604 1/20 0.38
CYP2C9 P11712 1/20 0.38
DCPS Q96C86 1/20 0.38
MEN1 O00255 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
SCHEMBL17004432 0.80 ALDH1A1 (0.40) TSHRALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL4343354 0.73 TSHR (0.71) TSHRALDH1A1MEN1KMT2ALMNA
SCHEMBL29366119 0.69 MAOB (0.47) TSHRALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL3173601 0.69 PIN1 (0.46) LTA4HMAPK14TSHRALDH1A1CYP1A2
SCHEMBL8483156 0.69 MPO (0.46) LTA4HMAPK14TSHRCYP3A4MGMT
SCHEMBL318524 0.69 MAOB (0.47) TSHRALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL1391990 0.69 KCNH3 (0.55) MEN1KMT2ALMNAMAPTHTT
SCHEMBL11009131 0.68 TSHR (0.52) LTA4HMAPK14TSHRCYP1A2CYP3A4
Fluorobenzene SCHEMBL28333284 0.68 TSHR (0.75) TSHRPOLB
SCHEMBL808424 0.67 MGMT (0.53) LTA4HMAPK14TSHRCYP1A2CYP3A4

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-2252594-A2 5-FLUORO PYRIMIDINE DERIVATIVES AS FUNGICIDES Dow AgroSciences LLC (US) 2010-11-24 EP disclosed
WO-2009094442-A2 5-FLUORO PYRIMIDINE DERIVATIVES DOW AGROSCIENCES LLC (US) 2009-07-30 WO disclosed