SCHEMBL24696009

SCHEMBL24696009

CC(C)c1cc(CC2CCCC2)nc2cc(C(=O)N3CCCC(=O)C3(C)C)nn12

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 6/20 0.34
▸ ALDH1A1 P00352 6/20 0.34
▸ KDM4E B2RXH2 4/20 0.34
▸ LMNA P02545 2/20 0.34
▸ HTT P42858 2/20 0.34
▸ NPSR1 Q6W5P4 2/20 0.34
▸ MAPK1 P28482 2/20 0.34
▸ POLB P06746 1/20 0.34
▸ BLM P54132 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ GAA P10253 1/20 0.32
▸ NPC1 O15118 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ KMT2A Q03164 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
SCHEMBL24696390 0.92 HPGD (0.34) HPGDALDH1A1KDM4ELMNAHTT
SCHEMBL24696051 0.91 HPGD (0.33) HPGDALDH1A1KDM4ELMNAHTT
SCHEMBL24696053 0.88 HPGD (0.34) HPGDALDH1A1KDM4ELMNAHTT
SCHEMBL24695956 0.87 HPGD (0.33) HPGDALDH1A1KDM4ELMNAHTT
SCHEMBL24696221 0.86 CNR2 (0.38) HPGDALDH1A1KDM4ELMNAHTT
SCHEMBL24695954 0.85 HPGD (0.34) HPGDALDH1A1KDM4ELMNAHTT
SCHEMBL24696160 0.85 CNR2 (0.37) HPGDALDH1A1KDM4ELMNAHTT
SCHEMBL24696155 0.82 HPGD (0.45) HPGDALDH1A1KDM4ELMNAHTT
SCHEMBL24695988 0.82 HPGD (0.45) HPGDALDH1A1KDM4ELMNAHTT
SCHEMBL24696348 0.82 KDM4E (0.40) HPGDALDH1A1KDM4ELMNAHTT

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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