SCHEMBL23399732

SCHEMBL23399732

COc1ccc(-n2nc(O)c(-c3ccccc3)c2-c2ccc(C)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.50
NPC1 O15118 1/20 0.50
POLB P06746 1/20 0.50
HPGD P15428 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
ALDH1A1 P00352 2/20 0.48
NPSR1 Q6W5P4 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.46
MCHR1 Q99705 1/20 0.46
RPA1 P27694 1/20 0.45
CCKAR P32238 4/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
OXTR P30559 1/20 0.43
PTGS1 P23219 2/20 0.43
PTGS2 P35354 2/20 0.43
CFTR P13569 1/20 0.43
KDM4E B2RXH2 1/20 0.42
GLA P06280 1/20 0.42

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
SCHEMBL23403610 1.00 RAB9A (0.50) RAB9ANPC1POLBHPGDSMN1; SMN2
SCHEMBL23403439 0.95 PTGS1 (0.47) RAB9ANPC1POLBHPGDSMN1; SMN2
SCHEMBL23400848 0.94 RPA1 (0.50) RAB9ANPC1POLBHPGDSMN1; SMN2
SCHEMBL23399105 0.91 CYP2C9 (0.46) RAB9ANPC1SMN1; SMN2ALDH1A1MEN1
SCHEMBL23400156 0.91 CYP2C9 (0.46) RAB9ANPC1SMN1; SMN2ALDH1A1MEN1
SCHEMBL23401180 0.89 CYP1A2 (0.47) RAB9ANPC1SMN1; SMN2ALDH1A1NPSR1
SCHEMBL23400158 0.89 CCKAR (0.48) RAB9ANPC1POLBHPGDSMN1; SMN2
SCHEMBL23399700 0.88 CYP2C9 (0.49) RAB9ANPC1SMN1; SMN2ALDH1A1NPSR1
SCHEMBL23401405 0.88 CYP2C9 (0.49) RAB9ANPC1SMN1; SMN2ALDH1A1NPSR1
SCHEMBL23401711 0.88 MAPT (0.49) RAB9ANPC1POLBHPGDSMN1; SMN2

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