SCHEMBL20104059

SCHEMBL20104059

CCc1cnccc1C(=O)CN(C)CC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 7/20 0.34
KDM6B O15054 4/20 0.34
RIPK1 Q13546 1/20 0.34
CHRNB2 P17787 1/20 0.33
CHRNA4 P43681 1/20 0.33
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
GPBAR1 Q8TDU6 1/20 0.32
SLC22A12 Q96S37 1/20 0.32
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 2/20 0.31
GLA P06280 1/20 0.31
GAA P10253 1/20 0.31
TDP1 Q9NUW8 2/20 0.31
MEN1 O00255 1/20 0.31
KDM4A O75164 1/20 0.31
MAPT P10636 1/20 0.31
THRB P10828 1/20 0.31
KMT2A Q03164 1/20 0.31
KDM4D Q6B0I6 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
SCHEMBL16684319 0.72 KDM4C (0.41) KDM4CKDM6BKDM4EALDH1A1GLA
SCHEMBL19840668 0.72 KDM4C (0.44) KDM4CKDM6BKDM4EALDH1A1GLA
SCHEMBL14618137 0.72 KDM4C (0.44) KDM4CKDM6BSLC6A2SLC6A4KDM4E
Bromide SCHEMBL16671695 0.71 KDM4C (0.40) KDM4CKDM6BKDM4EALDH1A1GLA
SCHEMBL9846115 0.70 KDM4C (0.35) KDM4CKDM6BSLC22A12KDM4EALDH1A1
SCHEMBL115648 0.70 KDM4C (0.56) KDM4CKDM6BKDM4EALDH1A1TDP1
SCHEMBL30100781 0.70 KDM4C (0.56) KDM4CKDM6BKDM4EALDH1A1TDP1
SCHEMBL11236770 0.70 KDM4C (0.44) KDM4CKDM6BKDM4EALDH1A1GLA
SCHEMBL20104091 0.69 GAA (0.31) GAA
SCHEMBL3025518 0.69 KDM4C (0.44) KDM4CKDM6BKDM4EALDH1A1GLA

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-3110810-B1 PYRAZOLE AMIDE DERIVATIVE TEIJIN PHARMA LTD (JP) 2018-05-02 EP disclosed