SCHEMBL17993489

SCHEMBL17993489

NC(=S)NC(=O)Cc1ccc(O)c(O)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.53
HIF1A Q16665 4/20 0.53
HSD17B10 Q99714 4/20 0.53
TDP1 Q9NUW8 3/20 0.53
MAPT P10636 3/20 0.53
APEX1 P27695 2/20 0.53
THPO P40225 2/20 0.53
LMNA P02545 2/20 0.53
HPGD P15428 2/20 0.53
BLM P54132 2/20 0.53
RGS12 O14924 1/20 0.53
POLB P06746 1/20 0.53
GAA P10253 1/20 0.53
TSHR P16473 1/20 0.53
NFKB1 P19838 1/20 0.53
GNAI1 P63096 1/20 0.53
PMP22 Q01453 1/20 0.53
ERCC1 P07992 7/20 0.49
ERCC4 Q92889 7/20 0.49
TRPV1 Q8NER1 1/20 0.49

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
SCHEMBL171986 0.81 LMNA (0.53) KDM4EHIF1AHSD17B10TDP1MAPT
SCHEMBL29556990 0.79 KDM4E (0.60) KDM4EHIF1AHSD17B10TDP1MAPT
SCHEMBL9674289 0.79 KDM4E (0.60) KDM4EHIF1AHSD17B10TDP1MAPT
SCHEMBL10203658 0.77 TRPV1 (0.47) KDM4EHIF1AHSD17B10TDP1MAPT
SCHEMBL9313486 0.77 KDM4E (0.62) KDM4EHIF1AHSD17B10TDP1MAPT
SCHEMBL17993526 0.76 KMT2A (0.64) KDM4EMAPTLMNAHPGDPOLB
SCHEMBL2734611 0.76 KDM4E (0.67) KDM4EHIF1AHSD17B10TDP1MAPT
SCHEMBL13926590 0.76 GAA (0.56) KDM4ETDP1LMNAGAAEGFR
SCHEMBL17993492 0.75 EGFR (0.49) HIF1AHSD17B10TDP1MAPTHPGD
SCHEMBL3565748 0.75 ALDH1A1 (0.57) TDP1MAPTLMNAPOLBGAA

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-2426108-B1 Processes and intermediates for preparing fused heterocyclic kinase inhibitors METHYLGENE INC (CA) 2016-08-10 EP disclosed