SCHEMBL22201679

SCHEMBL22201679

Cc1cc2c(F)c(Nc3nc(-c4ccncc4)nc4ccccc34)ccc2[nH]1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.59
POLB P06746 3/20 0.58
GSK3B P49841 2/20 0.57
AURKA O14965 1/20 0.57
SRC P12931 1/20 0.57
KDM4E B2RXH2 4/20 0.55
ALDH1A1 P00352 3/20 0.54
HPGD P15428 3/20 0.54
GSK3A P49840 1/20 0.54
RXFP1 Q9HBX9 1/20 0.54
MAPT P10636 1/20 0.53
PDE5A O76074 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
TGFBR1 P36897 1/20 0.50
MAPK14 Q16539 1/20 0.50
ABCG2 Q9UNQ0 6/20 0.49
LATS1 O95835 2/20 0.49
ABCB1 P08183 2/20 0.48

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
SCHEMBL22201636 0.82 PRKCH (0.47) LMNAPOLBGSK3BAURKASRC
SCHEMBL22201551 0.80 ALDH1A1 (0.66) LMNAPOLBGSK3BAURKASRC
SCHEMBL22201483 0.77 LMNA (0.83) LMNAPOLBGSK3BKDM4EALDH1A1
SCHEMBL22201550 0.76 POLB (0.58) LMNAPOLBGSK3BAURKASRC
SCHEMBL22201652 0.75 LMNA (1.00) LMNAPOLBGSK3BKDM4EALDH1A1
SCHEMBL22201680 0.74 ALDH1A1 (0.66) LMNAPOLBGSK3BAURKASRC
SCHEMBL22201428 0.73 ALDH1A1 (0.81) LMNAPOLBGSK3BAURKASRC
SCHEMBL22201581 0.73 HPGD (0.81) LMNAPOLBGSK3BKDM4EALDH1A1
SCHEMBL22201344 0.73 ALDH1A1 (0.72) LMNAPOLBGSK3BKDM4EALDH1A1
SCHEMBL802191 0.73 AURKA (1.00) POLBGSK3BAURKASRCKDM4E

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