SCHEMBL24696337

SCHEMBL24696337

CC1(C)CCCCN1C(=O)c1cc2nc(CC3CCCC3)cc(C(F)(F)F)n2n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 11/20 0.50
▸ GAA P10253 2/20 0.50
▸ SMN1; SMN2 Q16637 5/20 0.46
▸ HSD17B10 Q99714 7/20 0.44
▸ ALDH1A1 P00352 7/20 0.42
▸ KDM4E B2RXH2 8/20 0.42
▸ MEN1 O00255 3/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ CASP1 P29466 2/20 0.42
▸ CASP7 P55210 2/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ MAPT P10636 2/20 0.41
▸ LMNA P02545 3/20 0.41
▸ HTT P42858 3/20 0.41
▸ USP2 O75604 1/20 0.41
▸ ALOX15 P16050 1/20 0.41

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
SCHEMBL24696332 0.99 HPGD (0.49) HPGDGAASMN1; SMN2HSD17B10ALDH1A1
SCHEMBL24695795 0.91 HPGD (0.39) HPGDGAASMN1; SMN2HSD17B10ALDH1A1
SCHEMBL24696266 0.86 HPGD (0.46) HPGDGAASMN1; SMN2HSD17B10ALDH1A1
SCHEMBL24695828 0.86 HPGD (0.46) HPGDGAASMN1; SMN2HSD17B10ALDH1A1
SCHEMBL24696060 0.86 HPGD (0.45) HPGDGAASMN1; SMN2HSD17B10ALDH1A1
SCHEMBL24695829 0.86 HPGD (0.45) HPGDGAASMN1; SMN2HSD17B10ALDH1A1
SCHEMBL24695673 0.86 CNR2 (0.39) HPGDGAASMN1; SMN2HSD17B10ALDH1A1
SCHEMBL24695798 0.86 HPGD (0.66) HPGDGAASMN1; SMN2HSD17B10ALDH1A1
SCHEMBL24695590 0.84 HPGD (0.67) HPGDGAASMN1; SMN2HSD17B10ALDH1A1
SCHEMBL24696212 0.84 HPGD (0.67) HPGDGAASMN1; SMN2HSD17B10ALDH1A1

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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