SCHEMBL23402113

SCHEMBL23402113

COc1ccc(-n2nc(O)c(-c3ccccc3)c2CC(C)C)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RPA1 P27694 1/20 0.44
RAB9A P51151 2/20 0.43
NPC1 O15118 1/20 0.43
POLB P06746 1/20 0.43
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CCKAR P32238 4/20 0.40
HTT P42858 2/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
FABP3 P05413 1/20 0.38
FABP4 P15090 1/20 0.38
ADORA3 P0DMS8 2/20 0.38
HDAC1 Q13547 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ADORA2A P29274 1/20 0.37
ADORA1 P30542 1/20 0.37

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
SCHEMBL23402968 0.89 CCKAR (0.45) RAB9ANPC1POLBHPGDSMN1; SMN2
SCHEMBL23402222 0.88 CACNA1H (0.43) RPA1RAB9ANPC1POLBHPGD
SCHEMBL23403399 0.86 RPA1 (0.47) RPA1RAB9ANPC1POLBHPGD
SCHEMBL23400813 0.86 CACNA1H (0.40) RAB9ANPC1SMN1; SMN2L3MBTL1CCKAR
SCHEMBL23399733 0.84 ALDH1A1 (0.46) RPA1RAB9ANPC1POLBHPGD
SCHEMBL23402556 0.83 RPA1 (0.44) RPA1RAB9ANPC1SMN1; SMN2L3MBTL1
SCHEMBL23398656 0.82 RPA1 (0.44) RPA1RAB9ANPC1POLBHPGD
SCHEMBL23398668 0.81 RPA1 (0.47) RPA1RAB9ANPC1POLBHPGD
SCHEMBL23403131 0.81 LMNA (0.41) HPGDSMN1; SMN2L3MBTL1CCKARALDH1A1
SCHEMBL23400062 0.81 TP53 (0.39) RAB9ANPC1HPGDSMN1; 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