SCHEMBL24696333

SCHEMBL24696333

CC(C)c1cc(C2CCCCC2)nc2cc(C(=O)N3CCCCCC3)nn12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 11/20 0.60
▸ ALDH1A1 P00352 9/20 0.60
▸ HSD17B10 Q99714 7/20 0.60
▸ POLB P06746 1/20 0.60
▸ BLM P54132 1/20 0.60
▸ GAA P10253 1/20 0.59
▸ SMN1; SMN2 Q16637 1/20 0.53
▸ KMT2A Q03164 3/20 0.53
▸ MAPK1 P28482 2/20 0.53
▸ MEN1 O00255 2/20 0.53
▸ MAPT P10636 2/20 0.53
▸ KDM4E B2RXH2 7/20 0.51
▸ LMNA P02545 4/20 0.51
▸ HTT P42858 3/20 0.51
▸ NPSR1 Q6W5P4 2/20 0.51
▸ TDP1 Q9NUW8 1/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ CASP1 P29466 2/20 0.44
▸ CASP7 P55210 2/20 0.44
▸ CYP1A2 P05177 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
SCHEMBL24695982 0.87 HPGD (0.48) HPGDALDH1A1HSD17B10POLBBLM
SCHEMBL24695796 0.85 HPGD (0.48) HPGDALDH1A1HSD17B10POLBBLM
SCHEMBL24696338 0.84 HPGD (0.46) HPGDALDH1A1HSD17B10POLBBLM
SCHEMBL24696274 0.84 HPGD (0.46) HPGDALDH1A1HSD17B10POLBBLM
SCHEMBL24696155 0.83 HPGD (0.45) HPGDALDH1A1HSD17B10POLBBLM
SCHEMBL24695988 0.83 HPGD (0.45) HPGDALDH1A1HSD17B10POLBBLM
SCHEMBL24696154 0.83 HPGD (0.45) HPGDALDH1A1HSD17B10POLBBLM
SCHEMBL24695797 0.83 HPGD (0.45) HPGDALDH1A1HSD17B10POLBBLM
SCHEMBL24695588 0.82 HPGD (0.72) HPGDALDH1A1HSD17B10POLBBLM
SCHEMBL24696226 0.82 HPGD (0.59) HPGDALDH1A1HSD17B10POLBBLM

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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