SCHEMBL24696226

SCHEMBL24696226

CCc1cc(C2CCCCCC2)nc2cc(C(=O)N3CCCCCC3)nn12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 12/20 0.59
▸ GAA P10253 2/20 0.59
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ ALDH1A1 P00352 12/20 0.50
▸ KMT2A Q03164 4/20 0.50
▸ MEN1 O00255 3/20 0.50
▸ MAPT P10636 3/20 0.50
▸ MAPK1 P28482 2/20 0.50
▸ HSD17B10 Q99714 7/20 0.49
▸ POLB P06746 1/20 0.49
▸ BLM P54132 1/20 0.49
▸ KDM4E B2RXH2 9/20 0.46
▸ LMNA P02545 4/20 0.46
▸ HTT P42858 3/20 0.46
▸ NPSR1 Q6W5P4 2/20 0.46
▸ TDP1 Q9NUW8 2/20 0.46
▸ CASP1 P29466 2/20 0.44
▸ CASP7 P55210 2/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP3A4 P08684 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
SCHEMBL24695635 0.86 KMO (0.44) HPGDGAASMN1; SMN2ALDH1A1KMT2A
SCHEMBL24695808 0.86 KMO (0.44) HPGDGAASMN1; SMN2ALDH1A1KMT2A
SCHEMBL24696062 0.85 HPGD (0.44) HPGDGAASMN1; SMN2ALDH1A1KMT2A
SCHEMBL24695686 0.84 HPGD (0.46) HPGDGAASMN1; SMN2ALDH1A1KMT2A
SCHEMBL24695685 0.84 HPGD (0.46) HPGDGAASMN1; SMN2ALDH1A1KMT2A
SCHEMBL24696255 0.84 HPGD (0.46) HPGDGAASMN1; SMN2ALDH1A1KMT2A
SCHEMBL24696039 0.84 HPGD (0.46) HPGDGAASMN1; SMN2ALDH1A1KMT2A
SCHEMBL24696260 0.84 HPGD (0.46) HPGDGAASMN1; SMN2ALDH1A1KMT2A
SCHEMBL24695588 0.82 HPGD (0.72) HPGDGAASMN1; SMN2ALDH1A1KMT2A
SCHEMBL24695810 0.82 HPGD (0.42) HPGDGAASMN1; SMN2ALDH1A1KMT2A

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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