SCHEMBL25920173

SCHEMBL25920173

CC(=O)/C(C)=C/SCc1cnn2cccnc12

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AXL P30530 1/20 0.42
SMPD3 Q9NY59 3/20 0.40
HSD17B10 Q99714 3/20 0.39
ALDH1A1 P00352 2/20 0.39
LMNA P02545 2/20 0.39
HPGD P15428 2/20 0.39
KDM4E B2RXH2 4/20 0.38
PKM P14618 1/20 0.38
IRAK4 Q9NWZ3 4/20 0.38
NPSR1 Q6W5P4 1/20 0.38
PDE2A O00408 1/20 0.37
CDK2 P24941 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HTT P42858 1/20 0.36
MAPT P10636 1/20 0.36
STING1 Q86WV6 1/20 0.36
HSD11B1 P28845 1/20 0.36

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
SCHEMBL25920186 0.83 HSD17B10 (0.37) AXLHSD17B10ALDH1A1LMNAHPGD
SCHEMBL22792265 0.75 SMPD3 (0.50) AXLSMPD3HSD17B10ALDH1A1LMNA
SCHEMBL805457 0.73 SMPD3 (0.55) AXLSMPD3HSD17B10ALDH1A1LMNA
SCHEMBL30579408 0.70 SMPD3 (0.55) AXLSMPD3HSD17B10ALDH1A1LMNA
SCHEMBL29518379 0.70 SMPD3 (0.51) AXLSMPD3HSD17B10ALDH1A1LMNA
SCHEMBL10042194 0.68 HTT (0.58) AXLSMPD3HSD17B10ALDH1A1LMNA
SCHEMBL30579401 0.67 SMPD3 (0.47) AXLSMPD3HSD17B10ALDH1A1LMNA
SCHEMBL22792158 0.67 SMPD3 (0.55) AXLSMPD3HSD17B10ALDH1A1LMNA
SCHEMBL20347030 0.64 IRAK4 (0.52) AXLSMPD3HSD17B10ALDH1A1LMNA
SCHEMBL19997258 0.64 HSD17B10 (0.57) HSD17B10ALDH1A1LMNAHPGDKDM4E

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