SCHEMBL21048871

SCHEMBL21048871

CCCS(=O)(=O)Nc1ncc(C)cc1CNC(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.39
HPGD P15428 3/20 0.39
ALDH1A1 P00352 2/20 0.39
GAA P10253 2/20 0.39
MAPT P10636 2/20 0.39
CCR4 P51679 1/20 0.35
PTGS1 P23219 1/20 0.34
BRAF P15056 8/20 0.34
NAMPT P43490 1/20 0.34
BRD4 O60885 1/20 0.33
SLC13A5 Q86YT5 1/20 0.33
CYP17A1 P05093 1/20 0.33
KIT P10721 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA4 P22748 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
MEN1 O00255 1/20 0.33

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
SCHEMBL21048922 0.91 EPHX2 (0.36) KDM4EHPGDALDH1A1GAAMAPT
SCHEMBL1230894 0.69 CYP2C9 (0.44) KDM4EHPGDALDH1A1MAPTPTGS1
SCHEMBL21048873 0.69 JAK2 (0.46) KDM4EALDH1A1GAAMEN1KMT2A
SCHEMBL21048923 0.68 PTK2 (0.49) ALDH1A1MEN1KMT2AHSD17B10
SCHEMBL5310632 0.67 CA12 (0.48) HPGDNAMPTCA12CA1CA2
SCHEMBL23562359 0.64 SLC22A12 (0.45) KDM4EHPGDALDH1A1GAAMAPT
SCHEMBL12445431 0.64 BRAF (0.46) CCR4BRAF
SCHEMBL3267704 0.64 SMN1; SMN2 (0.44) KDM4EHPGDGAAMAPTBRD4
SCHEMBL20483300 0.64 ADORA2A (0.46) GAAMAPTKMT2ANPC1RAB9A
SCHEMBL15145602 0.63 MTNR1A (0.45) KIT

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