SCHEMBL24696140

SCHEMBL24696140

CCOC(=O)c1cc2nc(CC3CCC(CC)CC3)cc(O)n2n1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.39
▸ POLB P06746 3/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ HPGD P15428 2/20 0.39
▸ ADORA3 P0DMS8 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ KMT2A Q03164 3/20 0.34
▸ GAA P10253 2/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ NPC1 O15118 2/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ RXFP1 Q9HBX9 1/20 0.34
▸ FAAH O00519 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33

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
SCHEMBL24695976 0.93 HPGD (0.39) KDM4EPOLBALDH1A1HPGDADORA3
SCHEMBL24695633 0.92 KDM4E (0.40) KDM4EPOLBALDH1A1HPGDADORA3
SCHEMBL24696347 0.92 KDM4E (0.40) KDM4EPOLBALDH1A1HPGDADORA3
SCHEMBL24696246 0.92 KDM4E (0.40) KDM4EPOLBALDH1A1HPGDADORA3
SCHEMBL24695972 0.91 SMN1; SMN2 (0.41) KDM4EPOLBALDH1A1HPGDADORA3
SCHEMBL24695628 0.91 SMN1; SMN2 (0.41) KDM4EPOLBALDH1A1HPGDADORA3
SCHEMBL24695608 0.89 KDM4E (0.42) KDM4EPOLBALDH1A1HPGDADORA3
SCHEMBL24695844 0.89 KDM4E (0.38) KDM4EPOLBALDH1A1HPGDADORA3
SCHEMBL24696138 0.88 KDM4E (0.39) KDM4EPOLBALDH1A1HPGDADORA3
SCHEMBL24696001 0.86 KDM4E (0.38) KDM4EPOLBALDH1A1HPGDADORA3

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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