SCHEMBL10784392

SCHEMBL10784392

COC(=O)c1cnccc1NC(=O)C(C)CS

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 1/20 0.49
MAPK9 P45984 1/20 0.49
MAPK10 P53779 1/20 0.49
KDM4E B2RXH2 9/20 0.45
ALDH1A1 P00352 6/20 0.45
LMNA P02545 3/20 0.45
GLA P06280 1/20 0.44
GAA P10253 1/20 0.44
HSD17B10 Q99714 3/20 0.44
TSHR P16473 2/20 0.44
HPGD P15428 2/20 0.44
KMT2A Q03164 1/20 0.44
HTT P42858 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
TGFBR1 P36897 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
TBK1 Q9UHD2 1/20 0.38

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
SCHEMBL10778648 0.83 MME (0.49) MAPK8MAPK9MAPK10KDM4EALDH1A1
SCHEMBL14690552 0.77 MAPK8 (0.54) MAPK8MAPK9MAPK10KDM4EALDH1A1
SCHEMBL16076619 0.76 KDM4E (0.53) MAPK8MAPK9MAPK10KDM4EALDH1A1
SCHEMBL13818078 0.75 MAPK8 (0.59) MAPK8MAPK9MAPK10KDM4EALDH1A1
SCHEMBL14874214 0.75 KDM4E (0.59) MAPK8MAPK9MAPK10KDM4EALDH1A1
SCHEMBL10784388 0.74 MAPK8 (0.49) MAPK8MAPK9MAPK10KDM4EALDH1A1
SCHEMBL10778809 0.74 BRD4 (0.50) MAPK10KDM4EALDH1A1LMNAHSD17B10
SCHEMBL10779378 0.74 CNR2 (0.51) MAPK10KDM4EALDH1A1LMNAHSD17B10
SCHEMBL21767777 0.73 KDM4E (0.53) MAPK8MAPK9MAPK10KDM4EALDH1A1
SCHEMBL21767787 0.72 KDM4E (0.56) MAPK8MAPK9MAPK10KDM4EALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0110484-B1 DERIVATIVES OF AMINOPYRIDINECARBOXYLIC ACIDS, METHODS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Simes S.p.A. (IT) 1987-09-02 EP disclosed
US-4528296-A Derivatives of aminopyridinecarboxylic acids and pharmaceutical compositions containing them SIMES, SOCIETA ITALIANA MEDICINALLE SINTETICI (IT) 1985-07-09 US disclosed
EP-0110484-A1 Derivatives of aminopyridinecarboxylic acids, methods for their preparation and pharmaceutical compositions containing them Simes S.p.A. (IT) 1984-06-13 EP disclosed