SCHEMBL2781998

SCHEMBL2781998

O=C(O)c1cccnc1Oc1ccc(C(F)(F)F)cc1Cl

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 7/20 0.56
UGCG Q16739 12/20 0.53
CYP3A4 P08684 9/20 0.53
MEN1 O00255 1/20 0.52
TTR P02766 1/20 0.52
PPOX P50336 1/20 0.52
KMT2A Q03164 1/20 0.52
TDP1 Q9NUW8 1/20 0.52

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
SCHEMBL2783088 0.91 ALK (0.49) MRGPRX4UGCGCYP3A4MEN1TTR
SCHEMBL2782226 0.85 TAS2R14 (0.48) MRGPRX4UGCGCYP3A4MEN1TTR
SCHEMBL2783223 0.84 CCR2 (0.47) KMT2A
SCHEMBL2336929 0.83 MRGPRX4 (0.54) MRGPRX4UGCGTTRTDP1
SCHEMBL2779685 0.82 MRGPRX4 (0.47) MRGPRX4TDP1
SCHEMBL2779965 0.81 ROCK2 (0.46) MEN1KMT2ATDP1
SCHEMBL10924171 0.81 CCR1 (0.60) MRGPRX4MEN1TTRPPOXKMT2A
SCHEMBL2785360 0.80 TDP1 (0.54) CYP3A4MEN1TTRKMT2ATDP1
SCHEMBL2782132 0.80 MAPK8 (0.53) MRGPRX4MEN1KMT2ATDP1
SCHEMBL2332795 0.79 TP53 (0.52) MEN1KMT2ATDP1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114380740-A Synthesis method of polysubstituted pyridine-2-oxygen ether compound 江阴苏利化学股份有限公司 2022-04-22 CN disclosed
WO-2010091104-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS EXELIXIS, INC. (US) 2010-08-12 WO disclosed
WO-2010091104-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS EXELIXIS, INC. (US) 2010-08-12 WO disclosed