SCHEMBL29675207

SCHEMBL29675207

COc1nc(-c2ccc(S(C)(=O)=O)o2)nc(F)c1C(F)(F)F

nearest known ligand 0.30

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.30
USP2 O75604 1/20 0.30
ALDH1A1 P00352 1/20 0.30
TP53 P04637 1/20 0.30
HPGD P15428 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL23323475 1.00 KDM4E (0.30) KDM4EUSP2ALDH1A1TP53HPGD
SCHEMBL28777421 0.82 TSHR (0.31)
SCHEMBL29675041 0.82 TSHR (0.31)
SCHEMBL23324042 0.81 ADORA2A (0.35) KDM4EALDH1A1TP53HPGDKMT2A
SCHEMBL23323407 0.80 RAB9A (0.42) KDM4EALDH1A1TP53HPGDKMT2A
SCHEMBL23302331 0.80 RORC (0.38) KDM4ENPSR1
SCHEMBL29675166 0.80 RAB9A (0.42) KDM4EALDH1A1TP53HPGDKMT2A
SCHEMBL23302333 0.77 ILK (0.35) TP53KMT2ASMN1; SMN2NPSR1
SCHEMBL30637693 0.74 RAB9A (0.34) KDM4EKMT2ANPSR1
SCHEMBL27083198 0.74 RAB9A (0.34) KDM4EKMT2ANPSR1

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
CN-114585618-A Fluorine-containing pyrimidine compound and method for producing same 优迈特株式会社 2022-06-03 CN disclosed