SCHEMBL14730561

SCHEMBL14730561

N#COc1cccc(CO)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ENPP2 Q13822 1/20 0.41
GPBAR1 Q8TDU6 1/20 0.41
CYSLTR1 Q9Y271 1/20 0.41
TTR P02766 1/20 0.40
PRSS1 P07477 1/20 0.39
PRSS2 P07478 1/20 0.39
PRSS3 P35030 1/20 0.39
CYP4F2 P78329 1/20 0.39
CYP4A11 Q02928 1/20 0.39
LTA4H P09960 1/20 0.38
PRKCI P41743 1/20 0.38
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
F10 P00742 1/20 0.37
KDR P35968 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
MRGPRX4 Q96LA9 1/20 0.35

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
SCHEMBL158382 0.84 CHRM2 (0.38) LTA4HMEN1KMT2A
SCHEMBL28286056 0.81 PNMT (0.44) ENPP2F10
SCHEMBL28114320 0.79 IDO1 (0.41) CYP4F2CYP4A11MEN1KMT2AMRGPRX4
SCHEMBL26009 0.79 KMT2A (0.41) TSHRSMN1; SMN2CYP4F2CYP4A11MEN1
SCHEMBL4850094 0.78 TSHR (0.49) TSHRSMN1; SMN2ENPP2GPBAR1CYSLTR1
SCHEMBL12208798 0.78 F10 (0.44) F10
SCHEMBL10835184 0.77 ALDH1A1 (0.39) TSHRSMN1; SMN2MEN1KMT2A
SCHEMBL15219409 0.77 F2 (0.34) MEN1KMT2A
SCHEMBL20350466 0.77 TAAR1 (0.49) CYSLTR1
SCHEMBL23841233 0.75 LTA4H (0.48) TSHRCYSLTR1TTRPRSS1PRSS2

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-2562161-A1 5-FLUORO PYRIMIDINE DERIVATIVES AS FUNGICIDES Dow AgroSciences LLC (US) 2013-02-27 EP disclosed
EP-2562164-A1 5-FLUORO PYRIMIDINE DERIVATIVES AS FUNGICIDES Dow AgroSciences LLC (US) 2013-02-27 EP disclosed