SCHEMBL7119627

SCHEMBL7119627

N#Cc1ncccc1C(c1ccccc1)[N+](=O)[O-]

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.36
HPGD P15428 1/20 0.36
ELANE P08246 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
MEN1 O00255 5/20 0.33
KMT2A Q03164 5/20 0.33
CNR1 P21554 2/20 0.33
KDM4E B2RXH2 4/20 0.33
MAPT P10636 4/20 0.33
RECQL P46063 1/20 0.33
PLCG1 P19174 1/20 0.33
USP8 P40818 1/20 0.33
USP7 Q93009 1/20 0.33
USP47 Q96K76 1/20 0.33
LMNA P02545 2/20 0.32
HTT P42858 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32

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
SCHEMBL7053365 0.75 KDM4E (0.44) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL27467198 0.74 ALDH1A1 (0.40) ALDH1A1MEN1KMT2ACNR1KDM4E
SCHEMBL27163963 0.74 TRPA1 (0.40) ALDH1A1HPGDELANESLC6A2SLC6A4
SCHEMBL30784894 0.74 TRPA1 (0.40) ALDH1A1HPGDELANESLC6A2SLC6A4
SCHEMBL9373813 0.73 ALDH1A1 (0.42) ALDH1A1HPGDSLC6A2SLC6A4SLC6A3
SCHEMBL27669229 0.71 ALDH1A1 (0.40) ALDH1A1HPGDELANESLC6A2SLC6A4
SCHEMBL460268 0.70 SLC6A2 (0.53) ALDH1A1SLC6A2SLC6A4SLC6A3KMT2A
SCHEMBL10567133 0.70 LMNA (0.46) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL126343 0.68 PDE10A (0.51) ALDH1A1HPGDMEN1KMT2AKDM4E
SCHEMBL30832623 0.68 PDE10A (0.51) ALDH1A1HPGDMEN1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2003026664-A1 2-PHENYLAMINO-4- (5-PYRAZOLYLAMINO) -PYRAMIDINE DERIVATIVES AS KINASE INHIBITORS, IN PARTICULAR, SRC KINASE INHIBITORS BAYER CORPORATION (US) 2003-04-03 WO disclosed