SCHEMBL23398668

SCHEMBL23398668

COc1ccc(-n2nc(O)c(-c3ccccc3)c2C(C)C)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RPA1 P27694 1/20 0.47
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
HPGD P15428 2/20 0.46
POLB P06746 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
MAPT P10636 2/20 0.41
PTGS1 P23219 3/20 0.40
PTGS2 P35354 3/20 0.40
HTT P42858 1/20 0.40
ADORA3 P0DMS8 2/20 0.40
ALOX5 P09917 1/20 0.39
OXTR P30559 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
KDM4E B2RXH2 1/20 0.39
HCRTR1 O43613 1/20 0.39

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
SCHEMBL23402038 0.88 PTGS1 (0.44) NPC1RAB9AHPGDPOLBSMN1; SMN2
SCHEMBL23399428 0.87 NPC1 (0.44) RPA1NPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL23399198 0.85 SMN1; SMN2 (0.42) NPC1RAB9ASMN1; SMN2L3MBTL1MAPT
SCHEMBL23402897 0.82 RAB9A (0.52) RPA1NPC1RAB9AHPGDPOLB
SCHEMBL23400848 0.82 RPA1 (0.50) RPA1NPC1RAB9AHPGDPOLB
SCHEMBL23400029 0.82 RPA1 (0.47) RPA1NPC1RAB9AHPGDPOLB
SCHEMBL23402113 0.81 RPA1 (0.44) RPA1NPC1RAB9AHPGDPOLB
SCHEMBL23403624 0.80 NPC1 (0.43) NPC1RAB9AHPGDPOLBSMN1; SMN2
SCHEMBL23402895 0.79 LMNA (0.44) POLBSMN1; SMN2L3MBTL1MAPTPTGS1
SCHEMBL23403462 0.77 SMN1; SMN2 (0.40) NPC1RAB9AHPGDSMN1; SMN2L3MBTL1

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