SCHEMBL13690656

SCHEMBL13690656

O=Cc1nn(CCCCC(F)(F)F)c2ccccc12

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CNR1 P21554 7/20 0.38
CNR2 P34972 7/20 0.38
GLS O94925 1/20 0.35
PLK1 P53350 1/20 0.34
F2 P00734 1/20 0.33
PLAU P00749 1/20 0.33
ELANE P08246 1/20 0.33
HTR3A P46098 3/20 0.32
PARP1 P09874 1/20 0.32
ALDH1A1 P00352 1/20 0.32
IMPDH2 P12268 1/20 0.32
SSTR4 P31391 1/20 0.32
HDAC1 Q13547 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31

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
SCHEMBL13502791 0.82 HSD17B10 (0.41) KDM4ETSHRHSD17B10CNR1CNR2
SCHEMBL17291913 0.82 CNR2 (0.48) KDM4ETSHRHSD17B10CNR1CNR2
SCHEMBL13502788 0.82 SLC9A1 (0.41) KDM4ETSHRHSD17B10CNR1CNR2
SCHEMBL28347009 0.80 CNR2 (0.46) KDM4ETSHRHSD17B10CNR1CNR2
SCHEMBL13502793 0.78 PIM1 (0.46) KDM4ETSHRHSD17B10CNR1CNR2
SCHEMBL1491875 0.78 CNR2 (0.39) KDM4ETSHRHSD17B10CNR1CNR2
SCHEMBL4050608 0.77 CNR1 (0.52) KDM4ETSHRHSD17B10CNR1CNR2
SCHEMBL8231479 0.77 GLS (0.44) KDM4ETSHRHSD17B10CNR1CNR2
SCHEMBL2809192 0.77 ALDH1A1 (0.46) KDM4ETSHRHSD17B10CNR1CNR2
SCHEMBL13502790 0.77 GSK3B (0.47) KDM4ETSHRHSD17B10HTR3A

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-2009106980-A2 INDAZOLE DERIVATIVES PFIZER INC. (US) 2009-09-03 WO disclosed