SCHEMBL23601742

SCHEMBL23601742

CN(c1cc(F)cc(-c2ccc(N3CCC[S+]3[O-])cc2)c1)c1nc2nncn2c2cc(Cl)ccc12

nearest known ligand 0.30

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.30
HRH4 Q9H3N8 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
SCHEMBL29909380 0.83 CCNC (0.34) MAPTHRH4
SCHEMBL23601739 0.83 CCNC (0.34) MAPTHRH4
SCHEMBL31169440 0.82 PTGS2 (0.38)
SCHEMBL23601322 0.82 PTGS2 (0.38)
SCHEMBL23577545 0.81 MAT2A (0.34) HRH4
SCHEMBL31229450 0.81 MAT2A (0.31) HRH4
SCHEMBL23601759 0.81 FNTA (0.34) HRH4
SCHEMBL23601443 0.81 MAT2A (0.31) HRH4
SCHEMBL23601004 0.77 MAT2A (0.36) MAPTHRH4
SCHEMBL23576693 0.76 MAT2A (0.35) HRH4

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
WO-2021130638-A1 DIACYLGLYCEROL KINASE MODULATING COMPOUNDS CARNA BIOSCIENCES, INC. (JP) 2021-07-01 WO disclosed