SCHEMBL22201649

SCHEMBL22201649

NC12CCC(Nc3nc(-c4ccncc4)nc4ccccc34)(CC1)CC2

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.56
ALDH1A1 P00352 3/20 0.56
PDE5A O76074 2/20 0.56
POLB P06746 2/20 0.56
HPGD P15428 2/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
TGFBR1 P36897 1/20 0.53
MAPK14 Q16539 1/20 0.53
PTGS1 P23219 1/20 0.53
TBXAS1 P24557 1/20 0.53
PTGS2 P35354 1/20 0.53
GBA1 P04062 2/20 0.53
LATS1 O95835 4/20 0.51
ABCG2 Q9UNQ0 3/20 0.51
LATS2 Q9NRM7 3/20 0.51
LMNA P02545 2/20 0.51
MAPK1 P28482 1/20 0.51
RXFP1 Q9HBX9 1/20 0.51
GSK3A P49840 1/20 0.49
GSK3B P49841 1/20 0.49

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
SCHEMBL3459846 0.78 LATS1 (0.72) KDM4EALDH1A1PDE5APOLBHPGD
SCHEMBL14262837 0.73 KDM4E (0.94) KDM4EALDH1A1PDE5APOLBHPGD
SCHEMBL7434986 0.73 ALDH1A1 (1.00) KDM4EALDH1A1PDE5APOLBHPGD
SCHEMBL6698790 0.71 LATS1 (0.76) KDM4EALDH1A1PDE5APOLBHPGD
SCHEMBL22201668 0.71 KDM4E (0.84) KDM4EALDH1A1PDE5APOLBHPGD
SCHEMBL3460305 0.70 ALDH1A1 (0.94) KDM4EALDH1A1PDE5APOLBHPGD
SCHEMBL3460201 0.70 ACP1 (0.84) KDM4EALDH1A1PDE5APOLBHPGD
SCHEMBL22201548 0.70 ACP1 (0.73) KDM4EALDH1A1PDE5APOLBHPGD
SCHEMBL31061048 0.70 TGFBR1 (1.00) KDM4EALDH1A1PDE5APOLBHPGD
SCHEMBL412953 0.70 TGFBR1 (1.00) KDM4EALDH1A1PDE5APOLBHPGD

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