SCHEMBL22201247

SCHEMBL22201247

c1ccc2c(Nc3ccc4cnccc4c3)nc(-c3cncs3)nc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 1/20 0.50
HPGD P15428 5/20 0.48
LMNA P02545 5/20 0.48
MAPT P10636 4/20 0.48
PDE5A O76074 4/20 0.48
ABCG2 Q9UNQ0 6/20 0.47
KDM4E B2RXH2 4/20 0.47
CYP1A2 P05177 2/20 0.47
CYP3A4 P08684 2/20 0.47
TSHR P16473 2/20 0.47
MAPK1 P28482 2/20 0.47
CYP2C19 P33261 1/20 0.47
HSD17B10 Q99714 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
ALDH1A1 P00352 5/20 0.47
USP2 O75604 1/20 0.47
CLK4 Q9HAZ1 1/20 0.47
POLB P06746 2/20 0.47
TGFBR1 P36897 1/20 0.47
MAPK14 Q16539 1/20 0.47

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) HPGDLMNAMAPTPDE5AABCG2
SCHEMBL22201342 0.83 HPGD (0.70) HPGDLMNAMAPTPDE5AABCG2
SCHEMBL22201301 0.82 PDE5A (0.47) HPGDLMNAMAPTPDE5AABCG2
SCHEMBL22201291 0.82 TGFBR1 (0.48) HPGDLMNAMAPTPDE5AABCG2
SCHEMBL22201264 0.81 ABCG2 (0.71) HPGDLMNAMAPTPDE5AABCG2
SCHEMBL22201274 0.81 TGFBR1 (0.63) PDE5AABCG2CLK4TGFBR1
SCHEMBL22201300 0.81 TGFBR1 (0.52) HPGDLMNAMAPTPDE5AABCG2
SCHEMBL22201263 0.81 TGFBR1 (0.61) HPGDLMNAMAPTPDE5AABCG2
SCHEMBL22201303 0.81 PDE5A (0.46) HPGDLMNAMAPTPDE5AABCG2
SCHEMBL22201412 0.80 TGFBR1 (0.65) HPGDLMNAMAPTPDE5AABCG2

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