SCHEMBL27655100

SCHEMBL27655100

Cc1cc(OS(=O)(=O)C(F)(F)F)c2c(C)cn(-c3cc(C)c(Br)c(C)c3)c2n1

nearest known ligand 0.36

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.36

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
SCHEMBL27613758 0.89 ESR2 (0.36) ESR2
SCHEMBL5311531 0.84 ESR2 (0.32) ESR2
SCHEMBL1636292 0.80 CRHR1 (0.39) ESR2
SCHEMBL1762452 0.79 CYP1A2 (0.32) ESR2
SCHEMBL1505411 0.67 ALDH1A1 (0.39)
SCHEMBL2537872 0.64 ALDH1A1 (0.34) ESR2
SCHEMBL27613787 0.64 FPR3 (0.33)
SCHEMBL1645423 0.63 CA1 (0.41)
SCHEMBL14240535 0.62 DRD2 (0.38) ESR2
SCHEMBL18188355 0.62 S1PR4 (0.38) ESR2

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-1972941-A Pyrrolopyrimidine and pyrrolopyridine derivatives substituted with tetrahydropyridine as CRF antagonists TAISHO PHARMACEUTICAL CO LTD (JP) 2007-05-30 CN disclosed