SCHEMBL10784121

SCHEMBL10784121

COC(=O)c1ncccc1NC(=O)C(C)CSC(C)=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MME P08473 2/20 0.52
ACE P12821 1/20 0.52
BRD4 O60885 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.45
KDM4E B2RXH2 8/20 0.39
ALDH1A1 P00352 5/20 0.39
KMT2A Q03164 1/20 0.39
BDKRB1 P46663 1/20 0.39
HPGD P15428 2/20 0.38
POLB P06746 1/20 0.38
ALOX15 P16050 1/20 0.37
HSD17B10 Q99714 1/20 0.37
LMNA P02545 2/20 0.37
MAPK10 P53779 1/20 0.37
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MPO P05164 1/20 0.35
TSHR P16473 1/20 0.35

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
SCHEMBL10934842 0.88 MME (0.58) MMEACEBRD4L3MBTL1KDM4E
SCHEMBL10778809 0.83 BRD4 (0.50) BRD4L3MBTL1KDM4EALDH1A1KMT2A
SCHEMBL10781404 0.81 MME (0.52) MMEACEL3MBTL1KDM4EALDH1A1
SCHEMBL10778648 0.76 MME (0.49) MMEACEL3MBTL1KDM4EALDH1A1
SCHEMBL13818079 0.74 BRD4 (0.66) BRD4L3MBTL1KDM4EALDH1A1KMT2A
SCHEMBL10778631 0.74 MME (0.49) MMEACEL3MBTL1KDM4EALDH1A1
SCHEMBL28751799 0.73 BRD4 (0.56) BRD4L3MBTL1KDM4EALDH1A1KMT2A
SCHEMBL11113408 0.73 MME (0.58) MMEACEL3MBTL1ALDH1A1KMT2A
SCHEMBL10781458 0.72 MME (0.56) MMEACEL3MBTL1KDM4EALDH1A1
SCHEMBL10783947 0.72 MME (0.53) MMEACEL3MBTL1KDM4EALDH1A1

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