SCHEMBL24696356

SCHEMBL24696356

CC(C)c1cc(CCC2CCCC2)nc2cc(C(=O)O)nn12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 9/20 0.41
▸ ALDH1A1 P00352 6/20 0.38
▸ HSD17B10 Q99714 3/20 0.37
▸ KMT2A Q03164 2/20 0.36
▸ CASP1 P29466 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ ESR2 Q92731 1/20 0.36
▸ HPGD P15428 5/20 0.35
▸ HTT P42858 4/20 0.35
▸ POLB P06746 1/20 0.35
▸ BLM P54132 1/20 0.35
▸ LMNA P02545 2/20 0.35
▸ NPSR1 Q6W5P4 2/20 0.35
▸ MAPK1 P28482 2/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ P2RY14 Q15391 2/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ GAA P10253 1/20 0.34
▸ MAPT P10636 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
SCHEMBL24696374 0.99 KDM4E (0.40) KDM4EALDH1A1HSD17B10KMT2ACASP1
SCHEMBL24696348 0.88 KDM4E (0.40) KDM4EALDH1A1HSD17B10KMT2ACASP1
SCHEMBL24696215 0.87 HPGD (0.48) KDM4EALDH1A1HSD17B10KMT2ACASP1
SCHEMBL24696036 0.87 HPGD (0.48) KDM4EALDH1A1HSD17B10KMT2ACASP1
SCHEMBL24696352 0.87 KDM4E (0.41) KDM4EALDH1A1HSD17B10KMT2AHPGD
SCHEMBL24696323 0.87 KDM4E (0.39) KDM4EALDH1A1HSD17B10KMT2AHPGD
SCHEMBL24695613 0.87 KDM4E (0.39) KDM4EALDH1A1HSD17B10KMT2AHPGD
SCHEMBL24696355 0.87 KDM4E (0.40) KDM4EALDH1A1HSD17B10KMT2AHPGD
SCHEMBL24696322 0.86 KDM4E (0.40) KDM4EALDH1A1HSD17B10KMT2ACASP1
SCHEMBL24696258 0.82 KDM4E (0.55) KDM4EALDH1A1HSD17B10KMT2ACASP1

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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