SCHEMBL25920186

SCHEMBL25920186

C/C(=C\SCc1cnn2cccnc12)C(=O)NCC(C)O

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.37
HPGD P15428 2/20 0.37
ALDH1A1 P00352 2/20 0.37
LMNA P02545 2/20 0.37
KDM4E B2RXH2 4/20 0.37
PKM P14618 1/20 0.37
PDE2A O00408 2/20 0.36
MAPT P10636 1/20 0.35
IRAK4 Q9NWZ3 5/20 0.35
NPSR1 Q6W5P4 1/20 0.35
STING1 Q86WV6 3/20 0.35
AXL P30530 1/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CBLB Q13191 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL25920173 0.83 AXL (0.42) HSD17B10HPGDALDH1A1LMNAKDM4E
SCHEMBL30579401 0.70 SMPD3 (0.47) HSD17B10HPGDALDH1A1LMNAKDM4E
SCHEMBL22792265 0.67 SMPD3 (0.50) HSD17B10HPGDALDH1A1LMNAKDM4E
SCHEMBL805457 0.65 SMPD3 (0.55) HSD17B10HPGDALDH1A1LMNAKDM4E
SCHEMBL30579408 0.63 SMPD3 (0.55) HSD17B10HPGDALDH1A1LMNAKDM4E
SCHEMBL29518379 0.62 SMPD3 (0.51) HSD17B10HPGDALDH1A1LMNAKDM4E
SCHEMBL17321392 0.62 HTT (0.51) HSD17B10HPGDALDH1A1LMNAKDM4E
SCHEMBL18717545 0.62 PDE2A (0.61) HSD17B10HPGDALDH1A1LMNAKDM4E
SCHEMBL30579467 0.61 SMPD3 (0.53) HSD17B10HPGDALDH1A1LMNAKDM4E
SCHEMBL10042194 0.60 HTT (0.58) HSD17B10HPGDALDH1A1LMNAKDM4E

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
EP-4219501-A1 COMPOUND CONTAINING 2,4-THIAZOLE RING, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF Shandong University (CN) 2023-08-02 EP disclosed