SCHEMBL23401391

SCHEMBL23401391

Cc1ccc(-n2nc(C)c(C)c2O)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.44
POLB P06746 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
SMN1; SMN2 Q16637 5/20 0.43
RAB9A P51151 5/20 0.43
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
NPC1 O15118 4/20 0.43
MAPT P10636 3/20 0.43
TP53 P04637 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
ALDH1A1 P00352 4/20 0.43
LMNA P02545 3/20 0.43
HTT P42858 1/20 0.43
KDM4E B2RXH2 2/20 0.42
HPGD P15428 1/20 0.41
GRM5 P41594 1/20 0.41

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
SCHEMBL10049725 0.85 NPC1 (0.49) L3MBTL1POLBTDP1SMN1; SMN2RAB9A
SCHEMBL10049736 0.84 SMN1; SMN2 (0.52) POLBTDP1SMN1; SMN2RAB9AMEN1
SCHEMBL10049724 0.80 POLB (0.60) L3MBTL1POLBTDP1SMN1; SMN2RAB9A
SCHEMBL23401877 0.79 SMN1; SMN2 (0.47) L3MBTL1POLBTDP1SMN1; SMN2RAB9A
SCHEMBL23401031 0.79 MAPT (0.44) L3MBTL1TDP1SMN1; SMN2RAB9AMEN1
SCHEMBL23400138 0.79 ALDH1A1 (0.51) SMN1; SMN2RAB9AMEN1KMT2ANPC1
SCHEMBL12680266 0.79 SMN1; SMN2 (0.49) L3MBTL1POLBTDP1SMN1; SMN2RAB9A
SCHEMBL10073820 0.79 POLB (0.46) L3MBTL1POLBTDP1SMN1; SMN2MEN1
SCHEMBL17290962 0.79 ALOX5 (0.47) CYP2C9
SCHEMBL23402672 0.78 SMN1; SMN2 (0.40) L3MBTL1SMN1; SMN2RAB9AMEN1KMT2A

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