SCHEMBL8433917

SCHEMBL8433917

Cn1nc(-n2ncc(C#N)c2N)c(Br)c1OC(F)F

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
GLA P06280 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
XDH P47989 2/20 0.35
HPGD P15428 1/20 0.34
MAPT P10636 1/20 0.34
MBOAT4 Q96T53 1/20 0.33
ABL1 P00519 1/20 0.33
KDR P35968 1/20 0.33
F2 P00734 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
SCHEMBL27523951 0.87 KMT2A (0.41) KMT2AKDM4EMEN1ALDH1A1NPSR1
SCHEMBL8101901 0.86 KMT2A (0.40) KMT2AKDM4EMEN1ALDH1A1NPSR1
SCHEMBL8320789 0.79
SCHEMBL8607456 0.78
SCHEMBL8436837 0.77 MEN1 (0.32) KMT2AMEN1ALDH1A1MAPT
SCHEMBL8110416 0.77 RXRA (0.31)
SCHEMBL8434725 0.74 KMT2A (0.42) KMT2AKDM4EMEN1ALDH1A1NPSR1
SCHEMBL8434475 0.73 RXRA (0.31) KMT2AMAPT
SCHEMBL8919277 0.72 KMT2A (0.43) KMT2AKDM4EMEN1ALDH1A1NPSR1
SCHEMBL6976485 0.70

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-5756424-A POTENTIATION HOECHST SCHERING AGREVO GMBH (DE) 1998-05-26 US 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