SCHEMBL439862

SCHEMBL439862

COc1cccc2c(N)c(C(=O)O)cnc12

nearest known ligand 0.63

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HAVCR2 Q8TDQ0 1/20 0.63
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
PDE10A Q9Y233 1/20 0.50

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
SCHEMBL4721195 0.84 MEN1 (0.52) MEN1KMT2APDE10A
SCHEMBL1257667 0.83 MEN1 (0.51) HAVCR2MEN1KMT2APDE10A
SCHEMBL436627 0.83 KMT2A (0.67) MEN1KMT2A
Hydrochloric Acid SCHEMBL8537647 0.82 MEN1 (0.50) HAVCR2MEN1KMT2APDE10A
SCHEMBL436434 0.81 HAVCR2 (0.68) HAVCR2MEN1KMT2A
SCHEMBL442207 0.78 HAVCR2 (0.65) HAVCR2KMT2A
SCHEMBL10126289 0.78 HAVCR2 (0.68) HAVCR2
SCHEMBL436633 0.78 HAVCR2 (0.68) HAVCR2KMT2A
SCHEMBL436716 0.78 HAVCR2 (1.00) HAVCR2MEN1KMT2A
SCHEMBL437026 0.78 HAVCR2 (0.68) HAVCR2KMT2A

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-20120065166-A1 Bone Modulators And Methods Therewith ESPINA VIRGINIA (US) 2012-03-15 US disclosed