SCHEMBL23402138

SCHEMBL23402138

CCc1nn(-c2ccc(C)cc2)c(O)c1-c1ccc(C)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HEXA P06865 1/20 0.42
HEXB P07686 1/20 0.42
SMN1; SMN2 Q16637 5/20 0.40
MAPT P10636 3/20 0.40
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
TP53 P04637 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
SRC P12931 1/20 0.37
BRAF P15056 1/20 0.37
KDR P35968 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
SCHEMBL23398488 0.93 ALDH1A1 (0.41) HEXAHEXBSMN1; SMN2MAPTNPC1
SCHEMBL23400191 0.93 ALDH1A1 (0.44) HEXAHEXBSMN1; SMN2MAPTNPC1
SCHEMBL23400479 0.89 ALDH1A1 (0.39) HEXAHEXBSMN1; SMN2MAPTNPC1
SCHEMBL23402528 0.88 MAPT (0.42) HEXAHEXBSMN1; SMN2MAPTNPC1
SCHEMBL23403042 0.86 ALDH1A1 (0.40) HEXAHEXBSMN1; SMN2MAPTMEN1
SCHEMBL23398905 0.85 DPP4 (0.41) SMN1; SMN2MAPTNPC1RAB9ATP53
SCHEMBL31500057 0.84 HEXA (0.44) HEXAHEXBSMN1; SMN2MAPTNPC1
SCHEMBL23402003 0.84 DPP4 (0.41) SMN1; SMN2MAPTNPC1RAB9ATP53
SCHEMBL23401877 0.83 SMN1; SMN2 (0.47) SMN1; SMN2MAPTNPC1RAB9ATP53
SCHEMBL23398516 0.83 ALDH1A1 (0.49) HEXAHEXBSMN1; SMN2MAPTNPC1

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