Sugi Predict

Sugi Predict / Compounds / SCHEMBL23956239

SCHEMBL23956239

SCHEMBL23956239

Cc1cnc(-c2ccc(-c3ccccc3-c3cc(-c4ccccc4-c4ccc(-c5nccn5-c5ccccc5)cc4)cc(-c4ccccc4-c4ccc(-c5nccn5-c5ccccc5)cc4)c3)cc2)cc1OS(=O)(=O)C(F)(F)F

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ NR3C2 P08235 4/20 0.34
▸ F2 P00734 1/20 0.32
▸ F10 P00742 1/20 0.32
▸ PRSS1 P07477 1/20 0.32
▸ PRSS2 P07478 1/20 0.32
▸ PRSS3 P35030 1/20 0.32
▸ KDR P35968 5/20 0.32
▸ FLT1 P17948 2/20 0.32
▸ FLT4 P35916 2/20 0.32
▸ ESR2 Q92731 1/20 0.32
▸ MAPK9 P45984 1/20 0.31
▸ MAPK10 P53779 1/20 0.31
▸ DRD2 P14416 1/20 0.31
▸ DRD3 P35462 1/20 0.31
▸ PTGS1 P23219 1/20 0.30
▸ PTGS2 P35354 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
SCHEMBL23956292 0.89 EDNRA (0.38) DRD2DRD3
SCHEMBL23956282 0.85 KDR (0.40) KDRFLT1FLT4MAPK9MAPK10
SCHEMBL23956168 0.84 EDNRB (0.37) KDRPTGS1PTGS2
SCHEMBL23956245 0.82 PTGS2 (0.39) PTGS2
SCHEMBL25100496 0.81 EDNRA (0.36) DRD2DRD3
SCHEMBL23956276 0.80 KDR (0.41) KDRFLT1FLT4MAPK9MAPK10
SCHEMBL23956227 0.78 KDR (0.37) KDRFLT1FLT4MAPK9MAPK10
SCHEMBL25100495 0.76 BRS3 (0.36) KDRFLT1FLT4
SCHEMBL25100893 0.76 BRS3 (0.36) —
SCHEMBL23956353 0.74 LDHA (0.42) —

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
EP-3601304-B1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2021-10-27 — — EP disclosed