SCHEMBL22201427

SCHEMBL22201427

Cc1nc2cc(Cl)c(Nc3nc(-c4ccncc4)nc4ccncc34)cc2o1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LATS1 O95835 7/20 0.47
POLB P06746 3/20 0.45
KDM4E B2RXH2 4/20 0.43
ALDH1A1 P00352 3/20 0.43
RXFP1 Q9HBX9 1/20 0.43
HPGD P15428 2/20 0.42
PDE5A O76074 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
LMNA P02545 2/20 0.41
LATS2 Q9NRM7 1/20 0.40
GSK3B P49841 2/20 0.40
AURKA O14965 1/20 0.40
SRC P12931 1/20 0.40
GSK3A P49840 1/20 0.40
TGFBR1 P36897 1/20 0.40
MAPK14 Q16539 1/20 0.40
ABCG2 Q9UNQ0 3/20 0.39
ABCB1 P08183 2/20 0.39

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
SCHEMBL22201464 0.90 POLB (0.58) POLBKDM4EALDH1A1RXFP1HPGD
SCHEMBL22201420 0.84 LATS1 (0.54) LATS1POLBKDM4EALDH1A1RXFP1
SCHEMBL22201462 0.83 ABCG2 (0.48) POLBKDM4EALDH1A1RXFP1ABCG2
SCHEMBL16183336 0.79 ABCG2 (0.57) KDM4EPDE5ALMNAABCG2ABCB1
SCHEMBL22201601 0.74 ALDH1A1 (0.66) POLBKDM4EALDH1A1RXFP1HPGD
SCHEMBL22201604 0.74 ALDH1A1 (0.66) POLBKDM4EALDH1A1RXFP1HPGD
SCHEMBL22201308 0.69 LATS1 (0.49) LATS1POLBKDM4EALDH1A1RXFP1
SCHEMBL22201433 0.69 ALDH1A1 (0.63) LATS1POLBKDM4EALDH1A1RXFP1
SCHEMBL14344390 0.69 TGFBR1 (0.78) LATS1POLBKDM4EALDH1A1RXFP1
SCHEMBL22201695 0.68 ALDH1A1 (0.49) LATS1POLBKDM4EALDH1A1RXFP1

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