SCHEMBL16795334

SCHEMBL16795334

O=C(O)N1CCN(Cc2cc(O)cc(Br)c2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.47
FAAH O00519 2/20 0.46
LMNA P02545 4/20 0.45
ALDH1A1 P00352 4/20 0.45
HPGD P15428 3/20 0.45
HTT P42858 2/20 0.45
NPSR1 Q6W5P4 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
GPR183 P32249 4/20 0.42
POLB P06746 1/20 0.42
ALOX15 P16050 1/20 0.42
HBB P68871 1/20 0.42
HSD17B10 Q99714 1/20 0.42
DUSP3 P51452 1/20 0.41
PTPN5 P54829 1/20 0.41
PTPN11 Q06124 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 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
SCHEMBL5571317 0.89 LMNA (0.46) KDM4EFAAHLMNAALDH1A1HPGD
SCHEMBL15265471 0.84 GPR183 (0.50) KDM4EFAAHLMNAALDH1A1HPGD
SCHEMBL20570029 0.82 ATM (0.47) KDM4EFAAHLMNAALDH1A1HTT
SCHEMBL18305752 0.80 TDP1 (0.50) KDM4ELMNAALDH1A1MEN1KMT2A
SCHEMBL3047497 0.79 KDM4E (0.71) KDM4EFAAHLMNAALDH1A1HPGD
SCHEMBL23111591 0.78 USP2 (0.51) FAAHALDH1A1HPGDTSHRL3MBTL1
SCHEMBL15224432 0.78 KDM4E (0.51) KDM4EFAAHLMNAALDH1A1HPGD
SCHEMBL3617972 0.78 ALDH1A1 (0.68) KDM4EFAAHLMNAALDH1A1HPGD
SCHEMBL2932454 0.78 L3MBTL1 (0.54) KDM4EFAAHLMNAALDH1A1HTT
SCHEMBL16795240 0.77 PKM (0.53) FAAHLMNANPSR1MEN1KMT2A

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