SCHEMBL21048808

SCHEMBL21048808

CCN(c1ccccc1CNC(=O)OC(C)(C)C)S(C)(=O)=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.44
KCNA5 P22460 1/20 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
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
NQO2 P16083 1/20 0.39
BRD9 Q9H8M2 1/20 0.39
BAZ2B Q9UIF8 1/20 0.39
BAZ2A Q9UIF9 1/20 0.39
JAK2 O60674 3/20 0.39
JAK1 P23458 3/20 0.39
TYK2 P29597 3/20 0.39
JAK3 P52333 3/20 0.39
PTGER1 P34995 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 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
SCHEMBL17258976 0.91 TP53 (0.42) TP53KCNA5KDM4ACA12CA1
SCHEMBL17258776 0.89 JAK2 (0.42) TP53KCNA5KDM4ACA12CA1
SCHEMBL12280397 0.85 KMT2A (0.47) TP53KCNA5KDM4ACA12CA1
SCHEMBL21048804 0.85 JAK2 (0.41) TP53KCNA5KDM4ANQO2BRD9
SCHEMBL21048978 0.82 TP53 (0.52) TP53NPC1RAB9AJAK2JAK1
SCHEMBL24352770 0.80 KCNA5 (0.49) KCNA5KDM4ACA12CA1CA7
SCHEMBL28831016 0.80 KCNA5 (0.49) KCNA5KDM4ACA12CA1CA7
SCHEMBL8018113 0.78 KCNA5 (0.56) KCNA5KDM4ACA12CA1CA7
SCHEMBL30159605 0.78 KCNA5 (0.56) KCNA5KDM4ACA12CA1CA7
SCHEMBL4471943 0.78 KDM4A (0.51) 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