SCHEMBL8919733

SCHEMBL8919733

Cn1nc(-n2ncc(C#N)c2N)c(Cl)c1C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.43
MEN1 O00255 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MAPT P10636 1/20 0.41
ALDH1A1 P00352 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
XDH P47989 2/20 0.37
GLA P06280 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
MALT1 Q9UDY8 4/20 0.36
HPGD P15428 1/20 0.35
CYP11B2 P19099 1/20 0.35
GABRP O00591 2/20 0.35
GABRD O14764 2/20 0.35
GABRA1 P14867 2/20 0.35
GABRB1 P18505 2/20 0.35
GABRG2 P18507 2/20 0.35
GABRB3 P28472 2/20 0.35
GABRA5 P31644 2/20 0.35
GABRA3 P34903 2/20 0.35

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
SCHEMBL8919277 0.80 KMT2A (0.43) KMT2AMEN1KDM4EMAPTALDH1A1
SCHEMBL8101901 0.77 KMT2A (0.40) KMT2AMEN1KDM4EMAPTALDH1A1
SCHEMBL8918728 0.74 KDM4E (0.45) KMT2AMEN1KDM4EMAPTALDH1A1
SCHEMBL6475236 0.73 KDM4E (0.49) KMT2AMEN1KDM4EMAPTALDH1A1
SCHEMBL838436 0.73 KMT2A (0.44) KMT2AMEN1KDM4EMAPTALDH1A1
SCHEMBL6949643 0.72 KMT2A (0.43) KMT2AMEN1KDM4EMAPTALDH1A1
SCHEMBL10992903 0.72 KMT2A (0.53) KMT2AMEN1KDM4EMAPTALDH1A1
SCHEMBL7779112 0.72 KMT2A (0.45) KMT2AMEN1KDM4EMAPTALDH1A1
SCHEMBL8433356 0.71 KMT2A (0.46) KMT2AMEN1KDM4EMAPTALDH1A1
SCHEMBL8026458 0.71 GABRA2 (0.54) KMT2AMEN1KDM4EALDH1A1GABRP

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