SCHEMBL23401474

SCHEMBL23401474

CCCCc1nn(CCC)c(O)c1CCC

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.32
HPGD P15428 1/20 0.32
MAPK1 P28482 1/20 0.32
HTT P42858 1/20 0.32
RAB9A P51151 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
USP2 O75604 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
KDM4E B2RXH2 1/20 0.30
PKM P14618 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
SCHEMBL23402191 0.95 HPGD (0.36) NPC1HPGDMAPK1HTTRAB9A
SCHEMBL23398970 0.93 ESR1 (0.33) NPC1HPGDMAPK1HTTRAB9A
SCHEMBL23403241 0.93 HPGD (0.35) NPC1HPGDMAPK1HTTRAB9A
SCHEMBL23399990 0.91 USP2 (0.33) NPC1HPGDMAPK1HTTRAB9A
SCHEMBL23399577 0.91 USP2 (0.36) MAPK1NPSR1USP2KDM4E
SCHEMBL23402468 0.87 HPGD (0.36) NPC1HPGDMAPK1HTTRAB9A
SCHEMBL23402569 0.87 USP2 (0.35) USP2
SCHEMBL23399755 0.87 NPC1 (0.32) NPC1HPGDMAPK1HTTRAB9A
SCHEMBL23401345 0.86 HPGD (0.35) NPC1HPGDMAPK1HTTRAB9A
SCHEMBL23401348 0.85 USP2 (0.33) MAPK1NPSR1USP2KDM4E

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
EP-3828159-A1 STORAGE AND TRANSPORT STABILIZERS FOR POLYMERIZABLE COMPOUNDS BASF SE (DE) 2021-06-02 EP disclosed