SCHEMBL22201412

SCHEMBL22201412

c1ccc2c(Nc3ccc4ncsc4c3)nc(-c3cncs3)nc2c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 1/20 0.65
PRKD1 Q15139 1/20 0.64
PDE5A O76074 1/20 0.48
ABCG2 Q9UNQ0 9/20 0.47
ABCB1 P08183 4/20 0.47
ABCC1 P33527 2/20 0.47
CD38 P28907 2/20 0.46
MAPT P10636 4/20 0.44
LMNA P02545 3/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.44
HTT P42858 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
KDM1A O60341 2/20 0.44
HPGD P15428 2/20 0.44
MAPK1 P28482 1/20 0.44
GBA1 P04062 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL22201407 0.84 TGFBR1 (0.60) TGFBR1PRKD1PDE5AABCG2ABCB1
SCHEMBL22201291 0.84 TGFBR1 (0.48) TGFBR1PRKD1PDE5AABCG2ABCB1
SCHEMBL22201301 0.82 PDE5A (0.47) TGFBR1PRKD1PDE5AABCG2ABCB1
SCHEMBL22201264 0.81 ABCG2 (0.71) PDE5AABCG2ABCB1CD38MAPT
SCHEMBL22201247 0.80 GRM4 (0.50) TGFBR1PDE5AABCG2ABCB1ABCC1
SCHEMBL22201253 0.80 PDE5A (0.47) TGFBR1PDE5AABCG2ABCB1ABCC1
SCHEMBL22201303 0.79 PDE5A (0.46) TGFBR1PDE5AABCG2ABCB1ABCC1
SCHEMBL22201263 0.79 TGFBR1 (0.61) TGFBR1PRKD1PDE5AABCG2ABCB1
SCHEMBL22201274 0.79 TGFBR1 (0.63) TGFBR1PDE5AABCG2
SCHEMBL22201300 0.79 TGFBR1 (0.52) TGFBR1PDE5AABCG2ABCB1ABCC1

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