SCHEMBL16795223

SCHEMBL16795223

O=C(O)NC1CCN(Cc2cc(O)cc(Cl)c2)CC1

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 13/20 0.56
SLC6A12 P48065 1/20 0.51
TEAD1 P28347 1/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49

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
SCHEMBL3590338 0.82 SIGMAR1 (0.73) SIGMAR1SLC6A12TEAD1MEN1KMT2A
SCHEMBL16795141 0.81 CXCR3 (0.51) SIGMAR1SLC6A12TEAD1MEN1KMT2A
SCHEMBL17557652 0.80 SIGMAR1 (0.75) SIGMAR1KMT2A
SCHEMBL2425554 0.79 SIGMAR1 (0.78) SIGMAR1SLC6A12KMT2A
SCHEMBL1606020 0.78 SIGMAR1 (0.68) SIGMAR1SLC6A12KMT2A
Hydrochloric Acid SCHEMBL21410212 0.77 SIGMAR1 (0.76) SIGMAR1SLC6A12KMT2A
SCHEMBL16795119 0.77 L3MBTL1 (0.46) SIGMAR1MEN1KMT2A
SCHEMBL6312739 0.77 SIGMAR1 (0.76) SIGMAR1SLC6A12MEN1KMT2A
SCHEMBL20640315 0.76 SIGMAR1 (0.73) SIGMAR1TEAD1KMT2A
SCHEMBL20570029 0.76 ATM (0.47) SIGMAR1MEN1KMT2A

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
WO-2015086693-A1 PYRAZOLOPYRIMIDIN-2-YL DERIVATIVES AS JAK INHIBITORS ALMIRALL, S.A. (ES) 2015-06-18 WO disclosed