SCHEMBL14624610

SCHEMBL14624610

COC(=O)Cc1sc(N(C)C)c(C#N)c1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G1B P04054 1/20 0.43
ATG4B Q9Y4P1 1/20 0.43
HSD17B10 Q99714 6/20 0.35
ALDH1A1 P00352 4/20 0.35
TP53 P04637 2/20 0.35
MAPT P10636 2/20 0.35
HPGD P15428 1/20 0.35
MAPK1 P28482 3/20 0.35
TSHR P16473 2/20 0.35
ADORA2A P29274 1/20 0.34
USP2 O75604 1/20 0.34
ATM Q13315 1/20 0.34
GRIA2 P42262 1/20 0.34
GRIA4 P48058 1/20 0.34
RXFP1 Q9HBX9 1/20 0.33
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
APOBEC3G Q9HC16 1/20 0.32
HTT P42858 1/20 0.32
BRAF P15056 1/20 0.32

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
SCHEMBL14624611 0.77 HSD17B10 (0.40) HSD17B10ALDH1A1TP53MAPTHPGD
SCHEMBL10017673 0.76 PLA2G1B (0.60) PLA2G1BATG4BHSD17B10ALDH1A1MAPT
SCHEMBL21622362 0.69 HSD17B10 (0.42) HSD17B10ALDH1A1TP53MAPTHPGD
SCHEMBL7028416 0.68 ALDH1A1 (0.34) PLA2G1BATG4BHSD17B10ALDH1A1TP53
SCHEMBL13984089 0.65 L3MBTL1 (0.41) PLA2G1BATG4BHSD17B10ALDH1A1TP53
SCHEMBL3139516 0.64 L3MBTL1 (0.49) PLA2G1BATG4BALDH1A1MAPTHPGD
SCHEMBL516264 0.63 PLA2G1B (0.41) PLA2G1BATG4BHSD17B10ALDH1A1TP53
SCHEMBL3153974 0.62 PLA2G1B (0.38) PLA2G1BATG4BHSD17B10ALDH1A1TP53
SCHEMBL1922260 0.62 PLA2G1B (0.43) PLA2G1BATG4BHSD17B10ALDH1A1TP53
SCHEMBL9095862 0.62 MAPT (0.40) HSD17B10ALDH1A1TP53MAPTHPGD

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-2007010515-A1 IMPROVEMENTS TO ANALOGOUS COMPOUNDS OF 6-THIOGUANOSINE TRIPHOSPHATE, THEIR USE IN MEDICAL FIELDS AND PROCESSES FOR THEIR PREPARATION GIULIANI INTERNATIONAL LIMITED (IE) 2007-01-25 WO disclosed