SCHEMBL27356803

SCHEMBL27356803

NC(=O)C=CC=CC1(F)C[C@@H]1c1ccc(Br)c(Br)c1

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.32
RCOR1 Q9UKL0 1/20 0.32
SLC9A1 P19634 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
SCHEMBL8846200 0.89 AKR1C3 (0.32) KDM1ARCOR1
SCHEMBL27399659 0.82 NPSR1 (0.40)
SCHEMBL9516768 0.80
SCHEMBL9196128 0.80 EGFR (0.42)
SCHEMBL9517750 0.78 KDM1A (0.31) KDM1ARCOR1SLC9A1
SCHEMBL9193683 0.78 MMP1 (0.40)
SCHEMBL9190860 0.78 MMP1 (0.39) KDM1A
SCHEMBL9566249 0.78 HTT (0.33)
SCHEMBL9196118 0.78 ALDH1A1 (0.45)
SCHEMBL9191690 0.78 MMP1 (0.40)

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-1073674-A Sterilant ROUSSEL UCLAF (FR) 1993-06-30 CN disclosed