SCHEMBL22201689

SCHEMBL22201689

CCc1nc2ccc(Nc3nc(-c4ccncc4)nc4c(Cc5cc(Nc6nc(-c7ccncc7)nc7ccc(OC)cc67)cc6sc(CC)nc56)cccc34)cc2s1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 16/20 0.48
ABCB1 P08183 8/20 0.48
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
ABCC1 P33527 2/20 0.46
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
MAPK1 P28482 1/20 0.42
CASP1 P29466 1/20 0.42
CYP2C19 P33261 1/20 0.42
CASP7 P55210 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PDE5A O76074 1/20 0.41
LATS1 O95835 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
SCHEMBL22201687 0.82 ABCG2 (0.54) ABCG2ABCB1MEN1KMT2AABCC1
SCHEMBL22201456 0.81 ABCG2 (0.52) ABCG2ABCB1MEN1KMT2AABCC1
SCHEMBL22201558 0.78 ALDH1A1 (0.59) ABCG2ABCB1MEN1KMT2AABCC1
SCHEMBL22201611 0.78 LMNA (0.49) ABCG2ABCB1MEN1KMT2AABCC1
SCHEMBL22201688 0.76 KDM4E (0.53) ABCG2ABCB1MEN1KMT2AABCC1
SCHEMBL22201359 0.75 LATS1 (0.48) ABCG2ABCB1MEN1KMT2AABCC1
SCHEMBL22201459 0.74 ABCG2 (0.51) ABCG2ABCB1MEN1KMT2AABCC1
SCHEMBL22201463 0.73 ABCG2 (0.55) ABCG2ABCB1MEN1KMT2AABCC1
SCHEMBL22201297 0.72 ABCG2 (0.50) ABCG2
SCHEMBL22201465 0.71 HPGD (0.50) ABCG2ABCB1MEN1KMT2AABCC1

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