SCHEMBL8436837

SCHEMBL8436837

Cn1nc(-n2ncc([N+](=O)[O-])c2N)c(Br)c1OC(F)F

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
GAA P10253 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30
MAPT P10636 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
SCHEMBL8918303 0.87 MEN1 (0.37) MEN1KMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL8432245 0.75 MEN1 (0.35) MEN1KMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL8542481 0.70 MEN1 (0.35) MEN1KMT2A
SCHEMBL8434063 0.67 POLB (0.36) MEN1KMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL8385965 0.67 MEN1 (0.44) MEN1KMT2ALMNAGAAMAPT
SCHEMBL7509156 0.67 RPS6KA3 (0.35) ALDH1A1LMNA
SCHEMBL7510124 0.66 L3MBTL1 (0.40) MEN1KMT2AALDH1A1LMNAGAA
SCHEMBL7651003 0.66 ALDH1A1 (0.33) ALDH1A1LMNAMAPT
SCHEMBL8436633 0.66 ALDH1A1 (0.32) ALDH1A1LMNAMAPT
SCHEMBL7510824 0.65 MAPT (0.31) LMNAMAPT

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