SCHEMBL9507619

SCHEMBL9507619

O=[N+]([O-])c1ccc2c(c1)Sc1cc([N+](=O)[O-])ccc1O2

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SNCA P37840 7/20 0.50
MEN1 O00255 2/20 0.46
MAPT P10636 2/20 0.46
KMT2A Q03164 2/20 0.46
HTT P42858 1/20 0.46
CA9 Q16790 2/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
ALDH1A1 P00352 2/20 0.46
TSHR P16473 2/20 0.43
LMNA P02545 1/20 0.43
TDP1 Q9NUW8 2/20 0.42
HSD17B10 Q99714 1/20 0.42
NOX1 Q9Y5S8 1/20 0.42
TXNRD1 Q16881 1/20 0.42
TXNRD3 Q86VQ6 1/20 0.42
TXNRD2 Q9NNW7 1/20 0.42
PTPRC P08575 1/20 0.41
S100A4 P26447 1/20 0.41

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
SCHEMBL9509990 0.92 SNCA (0.55) SNCAMEN1MAPTKMT2AHTT
SCHEMBL10872568 0.85 SNCA (0.46) SNCAMEN1MAPTKMT2AHTT
SCHEMBL16545881 0.81 SNCA (0.45) SNCAMEN1MAPTKMT2AHTT
SCHEMBL11660401 0.81 MAPT (0.45) SNCAMEN1MAPTKMT2AHTT
SCHEMBL9698085 0.79 SNCA (0.56) SNCAALDH1A1TSHRLMNATDP1
SCHEMBL2390951 0.79 ALDH1A1 (0.52) MEN1MAPTKMT2AHTTCA9
SCHEMBL1144860 0.79 SNCA (0.56) SNCAALDH1A1TSHRLMNATDP1
SCHEMBL4233516 0.76 CA9 (0.62) MEN1MAPTKMT2AHTTCA9
SCHEMBL5798781 0.74 MEN1 (0.59) MEN1MAPTKMT2AHTTCA9
SCHEMBL9698852 0.74 SNCA (0.65) SNCAMEN1MAPTKMT2AALDH1A1

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-0399293-B1 PROCESS FOR PREPARING 2-CHLORO-4-NITRO-ALKYLBENZENE BAYER AG (DE) 1993-09-01 EP disclosed
US-5095157-A Friedel-crafts catalyst BAYER AKTIENGESELLSCHAFT (DE) 1992-03-10 US disclosed
EP-0399293-A1 Process for preparing 2-chloro-4-nitro-alkylbenzene BAYER AG (DE) 1990-11-28 EP disclosed