SCHEMBL22201628

SCHEMBL22201628

Oc1ccc(-c2nc(Nc3cccc(F)c3)c3ccccc3n2)cc1

nearest known ligand 0.83

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 13/20 0.83
POLB P06746 2/20 0.76
ALDH1A1 P00352 1/20 0.76
LMNA P02545 1/20 0.76
HPGD P15428 1/20 0.76
GSK3A P49840 1/20 0.76
GSK3B P49841 1/20 0.76
MEN1 O00255 7/20 0.73
KMT2A Q03164 7/20 0.73
TP53 P04637 2/20 0.73
MAPT P10636 2/20 0.73
SMN1; SMN2 Q16637 1/20 0.73
GAA P10253 3/20 0.70
NTSR1 P30989 2/20 0.69
GBA1 P04062 1/20 0.66
KDM1A O60341 1/20 0.62
PDE5A O76074 1/20 0.62
ABCB1 P08183 1/20 0.62

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
SCHEMBL1083761 0.86 HPGD (1.00) ABCG2POLBALDH1A1LMNAHPGD
SCHEMBL1058652 0.84 ABCG2 (1.00) ABCG2MEN1KMT2ATP53MAPT
SCHEMBL1061916 0.83 ABCG2 (1.00) ABCG2POLBALDH1A1LMNAMEN1
SCHEMBL22201289 0.82 ABCG2 (0.79) ABCG2POLBALDH1A1LMNAHPGD
SCHEMBL1083806 0.82 MEN1 (0.71) ABCG2POLBALDH1A1LMNAHPGD
SCHEMBL12316824 0.80 GAA (1.00) ABCG2POLBLMNAMEN1KMT2A
SCHEMBL6001888 0.78 ABCG2 (0.72) ABCG2POLBALDH1A1LMNAHPGD
SCHEMBL22201553 0.78 KDM1A (0.66) ABCG2POLBMEN1KMT2ATP53
SCHEMBL1063103 0.78 ABCG2 (1.00) ABCG2POLBALDH1A1LMNAHPGD
SCHEMBL22201264 0.77 ABCG2 (0.71) ABCG2POLBALDH1A1LMNAHPGD

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
WO-2020142748-A1 METHODS AND MATERIALS FOR INCREASING TRANSCRIPTION FACTOR EB POLYPEPTIDE LEVELS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2020-07-09 WO disclosed