SCHEMBL23403102

SCHEMBL23403102

CCn1nc(C)c(O)c1-c1ccc(C)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.42
LMNA P02545 2/20 0.42
HTT P42858 1/20 0.42
ADORA2A P29274 2/20 0.38
ADORA2B P29275 2/20 0.38
ALOX15 P16050 1/20 0.38
NPC1 O15118 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
USP7 Q93009 1/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HSD17B10 Q99714 1/20 0.35
FPR1 P21462 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35
GAA P10253 1/20 0.35
CYP19A1 P11511 1/20 0.35
PGR P06401 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
SCHEMBL23400505 0.86 ADORA2A (0.41) MAPTSMN1; SMN2LMNAHTTADORA2A
SCHEMBL23402208 0.86 HTR2A (0.48) MAPTSMN1; SMN2LMNAHTTADORA2A
SCHEMBL23399368 0.84 MAPT (0.42) MAPTSMN1; SMN2LMNAALOX15NPC1
SCHEMBL23403372 0.83 MAPT (0.39) MAPTSMN1; SMN2LMNAHTTNPC1
SCHEMBL23401464 0.83 NR1H3 (0.40) MAPTSMN1; SMN2LMNAHTTNPC1
SCHEMBL23399225 0.83 MAPT (0.41) MAPTSMN1; SMN2LMNAHTTADORA2A
SCHEMBL23402795 0.81 PGR (0.38) MAPTSMN1; SMN2NPC1USP7ALDH1A1
SCHEMBL23399020 0.81 MAPT (0.42) MAPTSMN1; SMN2LMNAHTTADORA2A
SCHEMBL23399049 0.80 NPC1 (0.53) MAPTSMN1; SMN2LMNAADORA2AADORA2B
SCHEMBL23401189 0.78 LMNA (0.40) MAPTSMN1; SMN2LMNANPC1USP7

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