SCHEMBL9005146

SCHEMBL9005146

N#Cc1c(Br)cc2ccccc2c1C#N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
KDM4E B2RXH2 4/20 0.44
MEN1 O00255 2/20 0.42
GAA P10253 2/20 0.42
MAPT P10636 2/20 0.42
KMT2A Q03164 2/20 0.42
CACNA1B Q00975 1/20 0.42
APBA1 Q02410 1/20 0.42
CA1 P00915 3/20 0.42
CA2 P00918 3/20 0.42
HIF1A Q16665 1/20 0.41
CYP1B1 Q16678 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MAPK1 P28482 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CLK1 P49759 1/20 0.37
DYRK1A Q13627 1/20 0.37
LMNA P02545 1/20 0.36
NCOA3 Q9Y6Q9 2/20 0.35
MAP2K2 P36507 1/20 0.35

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
SCHEMBL23099112 0.83 CA1 (0.42) ALDH1A1KDM4EMEN1GAAMAPT
SCHEMBL29391266 0.81 ALDH1A1 (0.58) ALDH1A1KDM4EMEN1GAAMAPT
SCHEMBL32211 0.81 ALDH1A1 (0.58) ALDH1A1KDM4EMEN1GAAMAPT
SCHEMBL6235233 0.78 ALDH1A1 (0.45) ALDH1A1KDM4EMEN1GAAMAPT
SCHEMBL29735302 0.78 ALDH1A1 (0.45) ALDH1A1KDM4EMEN1GAAMAPT
SCHEMBL31457372 0.78 CLK1 (0.49) ALDH1A1KDM4EMEN1GAAMAPT
SCHEMBL28869476 0.78 CLK1 (0.49) ALDH1A1KDM4EMEN1GAAMAPT
SCHEMBL11845980 0.76 ALDH1A1 (0.44) ALDH1A1KDM4EMEN1GAAMAPT
SCHEMBL12679885 0.74 ALDH1A1 (0.50) ALDH1A1KDM4EMEN1GAAMAPT
SCHEMBL5211903 0.73 ALDH1A1 (0.50) ALDH1A1KDM4EMEN1GAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0502723-B1 Water-soluble tetraazaporphins and fluorochrome for labeling HITACHI CHEMICAL CO LTD (JP) 1996-10-09 EP disclosed
US-5438135-A Fluorescence analysis HITACHI CHEMICAL COMPANY (JP) 1995-08-01 US disclosed
EP-0502723-A2 Water-soluble tetraazaporphins and fluorochrome for labeling HITACHI CHEMICAL CO., LTD. (JP) 1992-09-09 EP disclosed