SCHEMBL30488147

SCHEMBL30488147

COC(=O)Cc1cccc2nc(N)sc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 5/20 0.43
▸ HTT P42858 1/20 0.43
▸ KDM4E B2RXH2 4/20 0.41
▸ ALDH1A1 P00352 4/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ MAPT P10636 3/20 0.41
▸ HPGD P15428 3/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ PKM P14618 1/20 0.39
▸ NFKB1 P19838 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ NFKB2 Q00653 1/20 0.39
▸ RELA Q04206 1/20 0.39
▸ ACACA Q13085 1/20 0.39
▸ ALOX15 P16050 2/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ RXFP1 Q9HBX9 1/20 0.38
▸ ASH1L Q9NR48 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38

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
SCHEMBL25273864 1.00 HSD17B10 (0.43) HSD17B10HTTKDM4EALDH1A1SMN1; SMN2
SCHEMBL23422372 0.79 ELANE (0.44) HSD17B10ALDH1A1SMN1; SMN2MAPTNPC1
SCHEMBL984327 0.75 ILK (0.59) HSD17B10KDM4EALDH1A1SMN1; SMN2MAPT
SCHEMBL25278238 0.74 MAPK9 (0.47) HSD17B10KDM4EALDH1A1SMN1; SMN2MAPT
SCHEMBL25801523 0.73 DRD2 (0.46) HTTALDH1A1SMN1; SMN2MAPTNPC1
SCHEMBL28842276 0.72 ALDH1A1 (0.46) HSD17B10KDM4EALDH1A1HPGDGAA
SCHEMBL394985 0.72 DRD2 (0.42) ALDH1A1SMN1; SMN2MAPTNPC1RAB9A
SCHEMBL27429903 0.72 ALDH1A1 (0.47) HSD17B10KDM4EALDH1A1SMN1; SMN2MAPT
SCHEMBL12377717 0.71 ALDH1A1 (0.49) HSD17B10KDM4EALDH1A1SMN1; SMN2MAPT
SCHEMBL84829 0.71 CYP3A4 (0.57) KDM4EALDH1A1MAPTHPGDNPC1

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-2023107630-A2 AMINO ALCOHOL COMPOUNDS AND USES THEREOF Kineta, Inc. (US) 2023-06-15 — — WO disclosed
Send feedback