SCHEMBL16631641

SCHEMBL16631641

C[C@H]1O[C@@H](n2cc(Cn3cc(-c4ccccc4)nn3)c(N)nc2=O)[C@@H](O)C1O

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADK P55263 7/20 0.43
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
CYP19A1 P11511 1/20 0.40
GBA1 P04062 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
MEN1 O00255 1/20 0.39
CASP3 P42574 1/20 0.39
KMT2A Q03164 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
PTGS2 P35354 1/20 0.38
ALOX5 P09917 1/20 0.36
PTGES2 Q9H7Z7 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
ADORA1 P30542 1/20 0.36

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
SCHEMBL16631428 0.88 LMNA (0.48) RAB9AADORA3ADORA1
SCHEMBL18080035 0.80 P2RY2 (0.54)
SCHEMBL16631733 0.77 CYP19A1 (0.51) HDAC1HDAC2CYP19A1NPC1RAB9A
SCHEMBL21130861 0.76 ADK (0.45) ADKRAB9AADORA3
SCHEMBL16631213 0.76 ADK (0.39) ADKNPC1ADORA3ADORA1
SCHEMBL16631409 0.74 ADORA3 (0.47) RAB9AADORA3ADORA1
SCHEMBL18080401 0.74 NPC1 (0.49) HDAC1HDAC2CYP19A1NPC1RAB9A
SCHEMBL16631372 0.73 LMNA (0.50) RAB9A
SCHEMBL16631407 0.72 LMNA (0.48) RAB9A
SCHEMBL16631374 0.72 LMNA (0.48) RAB9AADORA3ADORA1

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-2015051173-A2 POLYNUCLEOTIDE MOLECULES AND USES THEREOF MODERNA THERAPEUTICS, INC (US) 2015-04-09 WO disclosed