SCHEMBL30983085

SCHEMBL30983085

C[C@@H]1[C@@H](N2CCCS2(=O)=O)CN1C(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.34
HPGD P15428 1/20 0.33
EPHX1 P07099 1/20 0.32
CTSK P43235 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
USP2 O75604 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
NR1H2 P55055 1/20 0.31

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
SCHEMBL25901635 0.76 NR1H2 (0.42) HPGDEPHX1SMN1; SMN2USP2MEN1
SCHEMBL3461672 0.72 HPGD (0.50) HPGDEPHX1SMN1; SMN2USP2ALDH1A1
SCHEMBL21227876 0.70 NR1H2 (0.42) HSD17B10HPGDCTSKSMN1; SMN2USP2
SCHEMBL27319966 0.70 NR1H2 (0.42) HSD17B10HPGDCTSKSMN1; SMN2USP2
SCHEMBL4629128 0.70 USP2 (0.41) HSD17B10HPGDEPHX1CTSKSMN1; SMN2
SCHEMBL24069887 0.69 USP2 (0.46) HSD17B10HPGDEPHX1CTSKSMN1; SMN2
SCHEMBL28923159 0.69 USP2 (0.46) HSD17B10HPGDEPHX1CTSKSMN1; SMN2
SCHEMBL22595464 0.69 HPGD (0.52) HPGDEPHX1SMN1; SMN2USP2ALDH1A1
SCHEMBL17086155 0.69 HSD17B10 (0.38) HSD17B10HPGDEPHX1SMN1; SMN2MEN1
SCHEMBL18622465 0.69 NR1H2 (0.36) HSD17B10HPGDSMN1; SMN2MEN1ALDH1A1

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-2024152986-A1 HETEROARYL AMINO COMPOUND, PREPARATION METHOD THEREFOR, AND USE THEREOF 北京鞍石生物科技有限责任公司 2024-07-25 WO disclosed