SCHEMBL24696338

SCHEMBL24696338

CC(C)c1cc(C2CCCCC2)nc2cc(C(=O)N3CCCCC3(C)C)nn12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 7/20 0.46
▸ ALDH1A1 P00352 6/20 0.46
▸ HSD17B10 Q99714 2/20 0.46
▸ POLB P06746 1/20 0.46
▸ BLM P54132 1/20 0.46
▸ GAA P10253 2/20 0.43
▸ KDM4E B2RXH2 5/20 0.41
▸ LMNA P02545 3/20 0.41
▸ HTT P42858 3/20 0.41
▸ NPSR1 Q6W5P4 3/20 0.41
▸ MAPK1 P28482 2/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ CNR2 P34972 6/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ TDP1 Q9NUW8 1/20 0.39
▸ MAPT P10636 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KDM5A P29375 2/20 0.35
▸ PDE10A Q9Y233 1/20 0.34

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
SCHEMBL24696160 0.86 CNR2 (0.37) HPGDALDH1A1HSD17B10POLBBLM
SCHEMBL24696062 0.85 HPGD (0.44) HPGDALDH1A1HSD17B10POLBBLM
SCHEMBL24696221 0.85 CNR2 (0.38) HPGDALDH1A1HSD17B10POLBBLM
SCHEMBL24696333 0.84 HPGD (0.60) HPGDALDH1A1HSD17B10POLBBLM
SCHEMBL24696054 0.83 HPGD (0.65) HPGDALDH1A1HSD17B10POLBGAA
SCHEMBL24696269 0.83 CNR2 (0.36) HPGDALDH1A1HSD17B10POLBBLM
SCHEMBL24695798 0.82 HPGD (0.66) HPGDALDH1A1HSD17B10POLBGAA
SCHEMBL24696271 0.82 CNR2 (0.36) HPGDALDH1A1HSD17B10POLBBLM
SCHEMBL24695982 0.81 HPGD (0.48) HPGDALDH1A1HSD17B10POLBBLM
SCHEMBL24696217 0.80 CNR2 (0.35) 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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