SCHEMBL21765906

SCHEMBL21765906

O=CC(Br)CNc1cnc(NC(=O)CBr)cn1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.35
TSHR P16473 1/20 0.32
HCAR3 P49019 1/20 0.32
HCAR2 Q8TDS4 1/20 0.32
PCSK9 Q8NBP7 1/20 0.31
NOTUM Q6P988 1/20 0.31
RAB9A P51151 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL21765658 0.79 TSHR (0.43) NPC1TSHRNOTUMRAB9ATDP1
SCHEMBL1037837 0.70 NOTUM (0.55) NPC1TSHRNOTUMRAB9ATDP1
SCHEMBL1040074 0.65 NOTUM (0.51) NPC1TSHRNOTUMRAB9A
SCHEMBL15004187 0.64 TSHR (0.69) NPC1TSHRRAB9A
SCHEMBL222437 0.63 TDP1 (0.69) NPC1TSHRRAB9ATDP1
SCHEMBL29518679 0.63 TSHR (0.46) NPC1TSHRRAB9ATDP1
SCHEMBL1866130 0.63 TSHR (0.46) NPC1TSHRRAB9ATDP1
SCHEMBL839206 0.63 RAB9A (0.66) NPC1RAB9A
SCHEMBL16230884 0.63 TSHR (0.46) NPC1TSHRRAB9ATDP1
SCHEMBL21589400 0.60 USP30 (0.54) NPC1TSHRRAB9A

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-2020041270-A1 COLLECTIONS OF PEPTIDES, PEPTIDE AGENTS, AND METHODS OF USE THEREOF FOG PHARMACEUTICALS, INC. (US) 2020-02-27 WO disclosed