SCHEMBL24577489

SCHEMBL24577489

CCOC(=O)c1cnn2cc(C3=C(OCCF)NCC=C3)sc12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 7/20 0.35
ALDH1A1 P00352 5/20 0.35
KDM4E B2RXH2 7/20 0.34
MAPT P10636 6/20 0.34
LMNA P02545 5/20 0.34
MEN1 O00255 4/20 0.34
KMT2A Q03164 4/20 0.34
HSD17B10 Q99714 4/20 0.34
GAA P10253 3/20 0.34
HTT P42858 2/20 0.34
MAPK1 P28482 2/20 0.34
GLA P06280 2/20 0.34
POLB P06746 1/20 0.34
NPC1 O15118 4/20 0.32
RAB9A P51151 3/20 0.32
ALOX15 P16050 2/20 0.32
USP2 O75604 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TP53 P04637 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL24579116 0.88
SCHEMBL29759692 0.75 TGFBR1 (0.42) HPGDALDH1A1KDM4EMAPTLMNA
SCHEMBL24577485 0.75 TGFBR1 (0.42) HPGDALDH1A1KDM4EMAPTLMNA
SCHEMBL30809477 0.73 HPGD (0.41) HPGDALDH1A1KDM4EMAPTMEN1
SCHEMBL30809480 0.73 HPGD (0.41) HPGDALDH1A1KDM4EMAPTMEN1
SCHEMBL24577381 0.70 ALDH1A1 (0.40) HPGDALDH1A1KDM4EMAPTLMNA
SCHEMBL24577809 0.68 TGFBR1 (0.43) HPGDALDH1A1KDM4EMAPTLMNA
Hydrochloric Acid SCHEMBL29759531 0.68 TGFBR1 (0.42) HPGDALDH1A1KDM4EMAPTLMNA
Hydrochloric Acid SCHEMBL30566615 0.68 TGFBR1 (0.42) HPGDALDH1A1KDM4EMAPTLMNA
SCHEMBL24577223 0.67 MAPT (0.40) HPGDALDH1A1KDM4EMAPTLMNA

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-2022136509-A1 PYRAZOLOTHIAZOLE CARBOXAMIDES AND THEIR USES AS PDGFR INHIBITORS ACTELION PHARMACEUTICALS LTD (CH) 2022-06-30 WO disclosed