SCHEMBL22201431

SCHEMBL22201431

c1cc(-c2nc(Nc3ccc4ncsc4c3)c3cnccc3n2)ccn1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PRKD1 Q15139 1/20 0.54
TGFBR1 P36897 2/20 0.53
LATS1 O95835 4/20 0.51
ABCG2 Q9UNQ0 5/20 0.49
HPGD P15428 3/20 0.49
LMNA P02545 2/20 0.49
MAPT P10636 1/20 0.49
RIPK2 O43353 1/20 0.48
ALDH1A1 P00352 3/20 0.48
KDM4E B2RXH2 3/20 0.48
POLB P06746 2/20 0.48
PDE5A O76074 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
GSK3A P49840 1/20 0.47
GSK3B P49841 1/20 0.47
ABCB1 P08183 1/20 0.47
RXFP1 Q9HBX9 1/20 0.46
MAPK14 Q16539 1/20 0.45
LRRK2 Q5S007 1/20 0.45

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
SCHEMBL22201284 0.83 ABCG2 (0.54) PRKD1TGFBR1ABCG2
SCHEMBL22201357 0.81 KDM4E (0.59) LATS1ABCG2HPGDLMNAMAPT
SCHEMBL22201419 0.81 LATS1 (0.52) TGFBR1LATS1ABCG2HPGDLMNA
SCHEMBL22201614 0.80 TGFBR1 (0.56) PRKD1TGFBR1LATS1ABCG2HPGD
SCHEMBL22201612 0.80 LMNA (0.53) PRKD1TGFBR1LATS1ABCG2HPGD
SCHEMBL22201674 0.80 HPGD (0.64) PRKD1TGFBR1ABCG2HPGDLMNA
SCHEMBL22201307 0.80 LATS1 (0.56) TGFBR1LATS1ABCG2HPGDLMNA
SCHEMBL22201430 0.79 LATS1 (0.48) TGFBR1LATS1ABCG2HPGDLMNA
SCHEMBL22201359 0.79 LATS1 (0.48) TGFBR1LATS1ABCG2HPGDLMNA
SCHEMBL22201432 0.78 LATS1 (0.47) TGFBR1LATS1ABCG2HPGDLMNA

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