SCHEMBL21048807

SCHEMBL21048807

CCCS(=O)(=O)Nc1ccccc1CNC(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 2/20 0.43
KDM4A O75164 1/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA7 P43166 1/20 0.41
CA14 Q9ULX7 1/20 0.41
LMNA P02545 2/20 0.40
POLB P06746 1/20 0.40
NQO2 P16083 1/20 0.39
MALT1 Q9UDY8 1/20 0.38
PTGS1 P23219 1/20 0.38
PTGES2 Q9H7Z7 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
NAMPT P43490 1/20 0.38
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
HPGD P15428 1/20 0.37
PARP14 Q460N5 1/20 0.37

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
SCHEMBL17258751 0.91 KCNA5 (0.46) KCNA5KDM4ACA12CA1CA7
SCHEMBL21048803 0.85 TP53 (0.40) KCNA5KDM4ALMNANQO2PTGES2
SCHEMBL12279905 0.85 ALDH1A1 (0.51) KCNA5KDM4ACA12CA1CA7
SCHEMBL28131286 0.79 KCNA5 (0.50) KCNA5KDM4ACA12CA1CA7
SCHEMBL8235396 0.79 KCNA5 (0.50) KCNA5KDM4ACA12CA1CA7
SCHEMBL8018113 0.78 KCNA5 (0.56) KCNA5KDM4ACA12CA1CA7
SCHEMBL30159605 0.78 KCNA5 (0.56) KCNA5KDM4ACA12CA1CA7
SCHEMBL29075936 0.78 KCNA5 (0.47) KCNA5KDM4ALMNAPOLBNQO2
SCHEMBL8240426 0.76 KCNA5 (0.50) KCNA5KDM4ACA12CA1CA7
SCHEMBL21048924 0.76 HSD17B10 (0.42) KCNA5KDM4ACA12CA1CA7

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-3143021-B1 PYRAZOLOPYRIDINES AND PYRAZOLOPYRIMIDINES PFIZER (US) 2019-06-12 EP disclosed