SCHEMBL30669244

SCHEMBL30669244

CCOP(=O)(Cc1cc(Br)cnc1F)OCC

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.35
EGFR P00533 2/20 0.34
TSHR P16473 1/20 0.32
BTK Q06187 1/20 0.32
CCNT1 O60563 1/20 0.32
CDK9 P50750 1/20 0.32
KDM4E B2RXH2 1/20 0.31
GRM5 P41594 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
SCHEMBL13640315 1.00 MAPT (0.36) MAPTHTTEGFRTSHRBTK
SCHEMBL5021691 0.87 PPARD (0.34) MAPTKDM4E
SCHEMBL6664133 0.84 HTT (0.41) MAPTHTTEGFRTSHRCCNT1
SCHEMBL23363895 0.81 CCNT1 (0.35) MAPTHTTEGFRTSHRCCNT1
SCHEMBL19759439 0.77 SMN1; SMN2 (0.35) MAPTHTTBTKCDK9KDM4E
SCHEMBL4537605 0.76 GRIN2D (0.42)
SCHEMBL15260198 0.74 TSHR (0.39) MAPTHTTEGFRTSHRKDM4E
SCHEMBL10022793 0.72 MAPT (0.44) MAPTHTTEGFRTSHRCCNT1
SCHEMBL9172810 0.72 TSHR (0.43) MAPTHTTEGFRTSHRCCNT1
SCHEMBL3373620 0.72 MAPT (0.44) MAPTHTTEGFRTSHRCCNT1

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
US-RE49735-E1 Oxazolidinones as modulators of MGLUR5 BRISTOL-MYERS SQUIBB COMPANY (US) 2023-11-28 US disclosed