SCHEMBL8918728

SCHEMBL8918728

Cn1nc(-n2ncc(C#N)c2N)cc1C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.45
KMT2A Q03164 4/20 0.45
MEN1 O00255 1/20 0.45
XDH P47989 2/20 0.39
ALDH1A1 P00352 4/20 0.36
NPSR1 Q6W5P4 3/20 0.36
MAPT P10636 2/20 0.34
RXFP1 Q9HBX9 3/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
GLA P06280 1/20 0.34
ABL1 P00519 1/20 0.33
KDR P35968 1/20 0.33
HPGD P15428 1/20 0.32
HTT P42858 1/20 0.32
GABRP O00591 1/20 0.32
GABRD O14764 1/20 0.32
GABRA1 P14867 1/20 0.32

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
SCHEMBL8433359 0.77 KMT2A (0.45) KDM4EKMT2AMEN1XDHALDH1A1
SCHEMBL8434725 0.76 KMT2A (0.42) KDM4EKMT2AMEN1XDHALDH1A1
SCHEMBL8110004 0.75 GABRP (0.43) KDM4EKMT2AMEN1NPSR1MAPT
SCHEMBL8919733 0.74 KMT2A (0.43) KDM4EKMT2AMEN1XDHALDH1A1
SCHEMBL7591416 0.70 SMN1; SMN2 (0.51) KDM4EKMT2AMEN1XDHALDH1A1
SCHEMBL12062690 0.69 KMT2A (0.55) KDM4EKMT2AMEN1XDHALDH1A1
SCHEMBL2743091 0.68 KMT2A (0.56) KDM4EKMT2AMEN1XDHALDH1A1
SCHEMBL10555775 0.68 KMT2A (0.70) KDM4EKMT2AMEN1XDHALDH1A1
SCHEMBL175251 0.68
SCHEMBL8026458 0.68 GABRA2 (0.54) KDM4EKMT2AMEN1ALDH1A1SMN1; SMN2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5668278-A HERBICIDES AND CHEMICAL INTERMEDIATES HOESCHST SCHERING AGREVO GMBH (DE) 1997-09-16 US disclosed
US-5556986-A CHEMICAL INTERMEDIATES FOR PYRAZOLYLPYRAZOLES AS HERBICIDES HOECHST SCHERING AGREVO GMBH (DE) 1996-09-17 US disclosed
EP-0643700-B1 NEW SUBSTITUTED PYRAZOLYLPYRAZOLES, PROCESSES FOR THEIR PREPARATION, AS WELL AS INTERMEDIATES, AND THEIR USE AS HERBICIDES HOECHST SCHERING AGREVO GMBH (DE) 1996-09-11 EP disclosed
US-5405829-A Substituted pyrazolypyrazoles and their use as herbicides SCHERING AKTIENGESELLSCHAFT (DE) 1995-04-11 US disclosed
EP-0643700-A1 NEW SUBSTITUTED PYRAZOLYLPYRAZOLES, PROCESSES FOR THEIR PREPARATION, AS WELL AS INTERMEDIATES, AND THEIR USE AS HERBICIDES. SCHERING AG (DE) 1995-03-22 EP disclosed
WO-1993010100-A1 NEW SUBSTITUTED PYRAZOLYLPYRAZOLES, PROCESSES FOR THEIR PREPARATION, AS WELL AS INTERMEDIATES, AND THEIR USE AS HERBICIDES SCHERING AKTIENGESELLSCHAFT (DE) 1993-05-27 WO disclosed
EP-0542388-A1 New substituted pyrazolylpyrazoles, processes for their preparation, as well as intermediates, and their use as herbicides SCHERING AKTIENGESELLSCHAFT (DE) 1993-05-19 EP disclosed