SCHEMBL16795240

SCHEMBL16795240

O=C(O)N1CCCN(Cc2cc(O)cc(Cl)c2)CC1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
GRIN2B Q13224 2/20 0.44
ATM Q13315 1/20 0.43
HSD11B1 P28845 1/20 0.43
FAAH O00519 2/20 0.43
EEF2K O00418 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
HRH3 Q9Y5N1 1/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CHKA P35790 1/20 0.41

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
SCHEMBL20570029 0.94 ATM (0.47) PKMNPSR1ATMFAAHL3MBTL1
SCHEMBL2932454 0.85 L3MBTL1 (0.54) PKMNPSR1ATMFAAHL3MBTL1
SCHEMBL5571317 0.84 LMNA (0.46) FAAHL3MBTL1HRH3MEN1LMNA
SCHEMBL15265471 0.79 GPR183 (0.50) PKMNPSR1ATMFAAHL3MBTL1
SCHEMBL15265427 0.78 HTR7 (0.46) PKMNPSR1ATMFAAHL3MBTL1
SCHEMBL16795334 0.77 KDM4E (0.47) NPSR1FAAHL3MBTL1MEN1LMNA
SCHEMBL20567070 0.75 VEGFA (0.53) NPSR1MEN1KMT2ASMN1; SMN2
SCHEMBL16795444 0.75 GRIN2B (0.38) PKMNPSR1GRIN2BHSD11B1EEF2K
SCHEMBL2931705 0.75 AKR1C3 (0.65) FAAHHRH3MEN1LMNAKMT2A
SCHEMBL4158729 0.75 CA12 (0.60) FAAHL3MBTL1HRH3MEN1LMNA

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