SCHEMBL8434725

SCHEMBL8434725

Cn1nc(-n2ncc(C#N)c2N)cc1OC(F)F

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.42
KDM4E B2RXH2 3/20 0.42
MEN1 O00255 1/20 0.42
XDH P47989 2/20 0.36
NPSR1 Q6W5P4 3/20 0.34
ALDH1A1 P00352 3/20 0.34
RXFP1 Q9HBX9 3/20 0.34
GLA P06280 1/20 0.34
MAPT P10636 2/20 0.33
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MBOAT4 Q96T53 1/20 0.32
F2 P00734 1/20 0.32
ABL1 P00519 1/20 0.32
KDR P35968 1/20 0.32
LPAR1 Q92633 1/20 0.31
HPGD P15428 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
SCHEMBL8432677 0.86 KMT2A (0.32) KMT2AMAPT
SCHEMBL8436775 0.77 PTPN1 (0.37) KMT2AMEN1ALDH1A1MAPTNPC1
SCHEMBL8432245 0.76 MEN1 (0.35) KMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL8918728 0.76 KDM4E (0.45) KMT2AKDM4EMEN1XDHNPSR1
SCHEMBL27523951 0.75 KMT2A (0.41) KMT2AKDM4EMEN1XDHNPSR1
SCHEMBL8433359 0.74 KMT2A (0.45) KMT2AKDM4EMEN1XDHNPSR1
SCHEMBL8101901 0.74 KMT2A (0.40) KMT2AKDM4EMEN1XDHNPSR1
SCHEMBL8433917 0.74 KMT2A (0.40) KMT2AKDM4EMEN1XDHNPSR1
SCHEMBL27417001 0.74 NPC1 (0.30) MAPTNPC1RAB9ASMN1; SMN2HPGD
SCHEMBL8921979 0.73 TSHR (0.53) KMT2AKDM4EMEN1NPSR1ALDH1A1

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
CN-1060478-C Substituted pyrazole derivatives SCHERING AG (DE) 2001-01-10 CN disclosed
US-5869686-A Substituted pyrazole derivatives, processes for their preparation and their use as herbicides HOECHST SCHERING AGREVO GMBH (DE) 1999-02-09 US disclosed
EP-0663913-B1 NEW SUBSTITUTED PYRAZOLE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS HERBICIDES HOECHST SCHERING AGREVO GMBH (DE) 1998-07-29 EP disclosed
US-5756424-A POTENTIATION HOECHST SCHERING AGREVO GMBH (DE) 1998-05-26 US disclosed
CN-1161965-A Substituted pyrazole derivatives SCHERING AG (DE) 1997-10-15 CN disclosed
US-5580986-A HERBICIDES HOECHST SCHERING AGREVO GMBH (DE) 1996-12-03 US disclosed
CN-1087342-A Novel substituted pyrazole derivatives, process for their preparation and their use as herbicides SCHERING AG (DE) 1994-06-01 CN disclosed