SCHEMBL24695608

SCHEMBL24695608

CCOC(=O)c1cc2nc(CC3CCC(C(F)(F)F)CC3)cc(O)n2n1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 6/20 0.42
▸ HPGD P15428 4/20 0.42
▸ ALDH1A1 P00352 4/20 0.42
▸ POLB P06746 2/20 0.42
▸ KMT2A Q03164 2/20 0.40
▸ SMN1; SMN2 Q16637 4/20 0.34
▸ GAA P10253 2/20 0.34
▸ PLAT P00750 1/20 0.34
▸ ADORA3 P0DMS8 1/20 0.33
▸ LMNA P02545 1/20 0.32
▸ CASP1 P29466 2/20 0.32
▸ CASP7 P55210 2/20 0.32
▸ HSD17B10 Q99714 2/20 0.32
▸ MAPT P10636 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL24695602 0.89 POLB (0.42) KDM4EHPGDALDH1A1POLBKMT2A
SCHEMBL24696246 0.89 KDM4E (0.40) KDM4EHPGDALDH1A1POLBKMT2A
SCHEMBL24696140 0.89 KDM4E (0.39) KDM4EHPGDALDH1A1POLBKMT2A
SCHEMBL24695976 0.88 HPGD (0.39) KDM4EHPGDALDH1A1POLBKMT2A
SCHEMBL24696347 0.88 KDM4E (0.40) KDM4EHPGDALDH1A1POLBKMT2A
SCHEMBL24695633 0.88 KDM4E (0.40) KDM4EHPGDALDH1A1POLBKMT2A
SCHEMBL24695605 0.88 KDM4E (0.41) KDM4EHPGDALDH1A1POLBKMT2A
SCHEMBL24695607 0.87 KDM4E (0.40) KDM4EHPGDALDH1A1POLBKMT2A
SCHEMBL24695628 0.87 SMN1; SMN2 (0.41) KDM4EHPGDALDH1A1POLBKMT2A
SCHEMBL24695972 0.87 SMN1; SMN2 (0.41) KDM4EHPGDALDH1A1POLBKMT2A

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-2022255408-A1 PYRAZOLO[1,5-A]PYRIMIDINE COMPOUND FOR THE TREATMENT OF DERMAL DISORDERS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2022-12-08 — — WO disclosed
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