SCHEMBL30809555

SCHEMBL30809555

CCOC(=O)c1cnn2cc(-c3cccc(OC)n3)sc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.43
HPGD P15428 8/20 0.42
ALDH1A1 P00352 7/20 0.42
KDM4E B2RXH2 6/20 0.42
TGFBR1 P36897 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
HSD17B10 Q99714 2/20 0.39
KMT2A Q03164 5/20 0.38
L3MBTL1 Q9Y468 3/20 0.38
MEN1 O00255 3/20 0.38
GAA P10253 3/20 0.38
TDP1 Q9NUW8 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
HTT P42858 1/20 0.37
POLB P06746 1/20 0.36
GUCY1A1 Q02108 1/20 0.36

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
SCHEMBL30809544 0.87 MAPT (0.44) MAPTHPGDALDH1A1KDM4ETGFBR1
SCHEMBL30809480 0.87 HPGD (0.41) MAPTHPGDALDH1A1KDM4ETGFBR1
SCHEMBL30809477 0.87 HPGD (0.41) MAPTHPGDALDH1A1KDM4ETGFBR1
SCHEMBL29760144 0.85 TGFBR1 (0.43) TGFBR1
SCHEMBL29759559 0.76 TGFBR1 (0.42) MAPTHPGDALDH1A1KDM4ETGFBR1
SCHEMBL24577809 0.74 TGFBR1 (0.43) MAPTHPGDALDH1A1KDM4ETGFBR1
SCHEMBL24577381 0.73 ALDH1A1 (0.40) MAPTHPGDALDH1A1KDM4ESMN1; SMN2
SCHEMBL30809497 0.73 TGFBR1 (0.32) TGFBR1NPC1
Hydrochloric Acid SCHEMBL29759531 0.73 TGFBR1 (0.42) MAPTHPGDALDH1A1KDM4ETGFBR1
Hydrochloric Acid SCHEMBL30566615 0.73 TGFBR1 (0.42) MAPTHPGDALDH1A1KDM4ETGFBR1

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-2023247596-A1 PYRAZOLOTHIAZOLE CARBOXAMIDES AND THEIR USES AS PDGFR INHIBITORS ACTELION PHARMACEUTICALS LTD (CH) 2023-12-28 WO disclosed