SCHEMBL24695798

SCHEMBL24695798

CC1(C)CCCCN1C(=O)c1cc2nc(C3CCCC3)cc(C(F)(F)F)n2n1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 12/20 0.66
▸ GAA P10253 2/20 0.66
▸ SMN1; SMN2 Q16637 1/20 0.60
▸ HSD17B10 Q99714 8/20 0.48
▸ ALDH1A1 P00352 7/20 0.48
▸ KDM4E B2RXH2 6/20 0.48
▸ MAPT P10636 4/20 0.48
▸ POLB P06746 4/20 0.48
▸ APP P05067 1/20 0.48
▸ LMNA P02545 3/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ CYP1A2 P05177 2/20 0.46
▸ CYP2C9 P11712 2/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ CASP1 P29466 2/20 0.46
▸ CASP7 P55210 2/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ TSHR P16473 1/20 0.46

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
SCHEMBL24696054 0.99 HPGD (0.65) HPGDGAASMN1; SMN2HSD17B10ALDH1A1
SCHEMBL24696337 0.86 HPGD (0.50) HPGDGAASMN1; SMN2HSD17B10ALDH1A1
SCHEMBL24696061 0.86 HPGD (0.60) HPGDGAASMN1; SMN2HSD17B10ALDH1A1
SCHEMBL24696332 0.85 HPGD (0.49) HPGDGAASMN1; SMN2HSD17B10ALDH1A1
SCHEMBL24695825 0.85 HPGD (0.61) HPGDGAASMN1; SMN2HSD17B10ALDH1A1
SCHEMBL24696062 0.83 HPGD (0.44) HPGDGAASMN1; SMN2HSD17B10ALDH1A1
SCHEMBL24696338 0.82 HPGD (0.46) HPGDGAASMN1; SMN2HSD17B10ALDH1A1
SCHEMBL24695986 0.82 HPGD (0.91) HPGDGAASMN1; SMN2HSD17B10ALDH1A1
SCHEMBL24695989 0.82 HPGD (0.91) HPGDGAASMN1; SMN2HSD17B10ALDH1A1
SCHEMBL24695837 0.82 HPGD (0.91) 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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