SCHEMBL23401549

SCHEMBL23401549

CCn1nc(C)c(-c2ccc(C)cc2)c1O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.42
HEXA P06865 1/20 0.41
HEXB P07686 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
LMNA P02545 2/20 0.41
HTT P42858 2/20 0.41
ALOX15 P16050 1/20 0.37
ADORA2A P29274 2/20 0.37
ADORA2B P29275 2/20 0.37
GAA P10253 2/20 0.36
POLB P06746 1/20 0.36
USP7 Q93009 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL23403216 0.87 HEXA (0.46) MAPTHEXAHEXBSMN1; SMN2LMNA
SCHEMBL23399897 0.87 ADORA2A (0.40) MAPTHEXAHEXBSMN1; SMN2LMNA
SCHEMBL23401645 0.86 GAA (0.50) MAPTSMN1; SMN2LMNAALOX15GAA
SCHEMBL23401160 0.85 RAB9A (0.40) MAPTHEXAHEXBSMN1; SMN2ALDH1A1
SCHEMBL23402444 0.84 TLR8 (0.40) HEXAHEXBSMN1; SMN2HTTGAA
SCHEMBL23403672 0.82 HEXA (0.36) MAPTHEXAHEXBSMN1; SMN2GAA
SCHEMBL23402843 0.81 DPP4 (0.40) MAPTHEXAHEXBSMN1; SMN2LMNA
SCHEMBL23402289 0.81 GCGR (0.43) MAPTHEXAHEXBUSP7
SCHEMBL23400409 0.81 HEXA (0.35) MAPTHEXAHEXBSMN1; SMN2LMNA
SCHEMBL23402116 0.80 SMN1; SMN2 (0.48) MAPTSMN1; SMN2POLBKDM4EALDH1A1

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