SCHEMBL9749147

SCHEMBL9749147

COC(=O)CSc1scnc1OC(=O)OC

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.40
HSD17B10 Q99714 3/20 0.40
TP53 P04637 2/20 0.40
MAPT P10636 2/20 0.40
TSHR P16473 1/20 0.40
KMT2A Q03164 4/20 0.40
HPGD P15428 4/20 0.40
FFAR1 O14842 1/20 0.39
ALDH1A1 P00352 3/20 0.39
ALOX15 P16050 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
POLB P06746 1/20 0.38
MEN1 O00255 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
NOTUM Q6P988 1/20 0.38
APOBEC3G Q9HC16 1/20 0.37
PRNP P04156 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
SCHEMBL9852546 0.86 PTGS1 (0.36) MAPK1HSD17B10MAPTTSHRKMT2A
SCHEMBL9748133 0.85 HSD17B10 (0.32) MAPK1HSD17B10MAPTHPGDALDH1A1
SCHEMBL10688854 0.77 HSD17B10 (0.43) MAPK1HSD17B10TP53MAPTTSHR
SCHEMBL9748003 0.75 PTGS1 (0.36) MAPK1HSD17B10MAPTTSHRKMT2A
SCHEMBL9749314 0.73 HSD17B10 (0.40) HSD17B10KMT2AHPGDFFAR1ALDH1A1
SCHEMBL10872720 0.72 KDM4E (0.36) HSD17B10MAPTHPGDALDH1A1ALOX15
SCHEMBL9852497 0.70 KDM4E (0.34) HSD17B10MAPTHPGDALDH1A1ALOX15
SCHEMBL846103 0.66 MAPT (0.46) MAPK1HSD17B10MAPTKMT2AHPGD
SCHEMBL10872710 0.64 KMT2A (0.43) MAPK1HSD17B10TP53MAPTTSHR
SCHEMBL10118118 0.63 ALDH1A1 (0.53) MAPK1HSD17B10TSHRKMT2AHPGD

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-0194572-B1 HETEROCYCLIC SULFIDES, PROCESS FOR THEIR PREPARATION AND MEDICAMENTS CONTAINING THEM HOECHST AKTIENGESELLSCHAFT (DE) 1992-01-02 EP disclosed