SCHEMBL9005153

SCHEMBL9005153

N#Cc1cc2c(Br)c3ccccc3c(Br)c2cc1C#N

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 7/20 0.49
MAOB P27338 7/20 0.49
IMPDH2 P12268 3/20 0.42
IMPDH1 P20839 2/20 0.42
DYRK1A Q13627 1/20 0.40
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
USP8 P40818 1/20 0.39
USP7 Q93009 1/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
TSHR P16473 1/20 0.38
NCOA3 Q9Y6Q9 1/20 0.38
LMNA P02545 1/20 0.37
MEN1 O00255 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
CACNA1B Q00975 1/20 0.37
APBA1 Q02410 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL14306804 0.80 IMPDH2 (0.48) MAOAMAOBIMPDH2IMPDH1DYRK1A
SCHEMBL17297038 0.80 IMPDH2 (0.48) MAOAMAOBIMPDH2IMPDH1DYRK1A
SCHEMBL11640804 0.77 TSHR (0.48) MAOAMAOBIMPDH2IMPDH1DYRK1A
SCHEMBL28230714 0.76 ALDH1A1 (0.52) IMPDH2IMPDH1DYRK1ACA1CA2
SCHEMBL21808809 0.75 ESR2 (0.43) MAOAMAOBIMPDH2IMPDH1DYRK1A
SCHEMBL28511 0.74 ALDH1A1 (0.44) CA1CA2KDM4EALDH1A1TSHR
SCHEMBL18889038 0.74 AR (0.45) IMPDH2IMPDH1DYRK1AKDM4EALDH1A1
SCHEMBL29352635 0.74 ALDH1A1 (0.44) CA1CA2KDM4EALDH1A1TSHR
SCHEMBL21297906 0.73 IMPDH2 (0.42) MAOAMAOBIMPDH2IMPDH1DYRK1A
SCHEMBL21298498 0.73 IMPDH2 (0.42) MAOAMAOBIMPDH2IMPDH1DYRK1A

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