SCHEMBL10778809

SCHEMBL10778809

COC(=O)c1ncccc1NC(=O)C(C)CS

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.50
L3MBTL1 Q9Y468 2/20 0.46
KDM4E B2RXH2 8/20 0.42
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 5/20 0.42
BDKRB1 P46663 1/20 0.41
HPGD P15428 2/20 0.41
POLB P06746 1/20 0.41
ALOX15 P16050 1/20 0.40
HSD17B10 Q99714 1/20 0.40
LMNA P02545 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.38
TSHR P16473 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MDM4 O15151 1/20 0.37
TP53 P04637 1/20 0.37
MAPK10 P53779 1/20 0.37
MEN1 O00255 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
SCHEMBL10784121 0.83 MME (0.52) BRD4L3MBTL1KDM4EKMT2AALDH1A1
SCHEMBL10779378 0.79 CNR2 (0.51) L3MBTL1KDM4EALDH1A1BDKRB1HPGD
SCHEMBL28751799 0.77 BRD4 (0.56) BRD4L3MBTL1KDM4EKMT2AALDH1A1
SCHEMBL12411094 0.76 L3MBTL1 (0.54) BRD4L3MBTL1KDM4EALDH1A1HPGD
SCHEMBL5259346 0.75 BRD4 (0.66) BRD4L3MBTL1KDM4EKMT2AALDH1A1
SCHEMBL13818079 0.75 BRD4 (0.66) BRD4L3MBTL1KDM4EKMT2AALDH1A1
SCHEMBL10778806 0.74 BRD4 (0.50) BRD4L3MBTL1KDM4EALDH1A1POLB
SCHEMBL10784392 0.74 MAPK8 (0.49) L3MBTL1KDM4EKMT2AALDH1A1HPGD
SCHEMBL1894761 0.74 L3MBTL1 (0.58) BRD4L3MBTL1KDM4EALDH1A1POLB
SCHEMBL5258001 0.72 L3MBTL1 (0.50) BRD4L3MBTL1KDM4EKMT2AALDH1A1

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