SCHEMBL8919277

SCHEMBL8919277

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

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.43
KDM4E B2RXH2 4/20 0.43
MEN1 O00255 1/20 0.43
MAPT P10636 2/20 0.39
ALDH1A1 P00352 5/20 0.37
NPSR1 Q6W5P4 3/20 0.37
XDH P47989 2/20 0.37
HPGD P15428 3/20 0.35
RXFP1 Q9HBX9 2/20 0.35
GLA P06280 1/20 0.35
SLC34A1 Q06495 1/20 0.31
LMNA P02545 2/20 0.30
POLB P06746 1/20 0.30
PKM P14618 1/20 0.30
HTT P42858 1/20 0.30
RXRA P19793 1/20 0.30
RXRB P28702 1/20 0.30
RXRG P48443 1/20 0.30

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
SCHEMBL8101901 0.82 KMT2A (0.40) KMT2AKDM4EMEN1MAPTALDH1A1
SCHEMBL8919733 0.80 KMT2A (0.43) KMT2AKDM4EMEN1MAPTALDH1A1
SCHEMBL27523951 0.73 KMT2A (0.41) KMT2AKDM4EMEN1MAPTALDH1A1
SCHEMBL8433917 0.72 KMT2A (0.40) KMT2AKDM4EMEN1MAPTALDH1A1
SCHEMBL10992903 0.72 KMT2A (0.53) KMT2AKDM4EMEN1MAPTALDH1A1
SCHEMBL8433356 0.71 KMT2A (0.46) KMT2AKDM4EMEN1MAPTALDH1A1
SCHEMBL10618033 0.70 KMT2A (0.55) KMT2AKDM4EMEN1MAPTALDH1A1
SCHEMBL8434475 0.68 RXRA (0.31) KMT2AMAPTRXRARXRBRXRG
SCHEMBL1196028 0.68 MAPT (0.42) KMT2AKDM4EMEN1MAPTALDH1A1
SCHEMBL8110416 0.68 RXRA (0.31) RXRARXRBRXRG

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