SCHEMBL9759846

SCHEMBL9759846

C#Cc1cccc([N+](=O)[O-])c1[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 2/20 0.53
TSHR P16473 2/20 0.53
TDP1 Q9NUW8 4/20 0.47
ALDH1A1 P00352 5/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PTPN11 Q06124 1/20 0.41
S100A4 P26447 2/20 0.40
HSD17B10 Q99714 1/20 0.39
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
HPGD P15428 1/20 0.37
PDE10A Q9Y233 1/20 0.37
PLAU P00749 1/20 0.37
PTPRC P08575 1/20 0.37
ERN1 O75460 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
SCHEMBL55225 0.82 GPR35 (0.55) GPR35TSHRTDP1ALDH1A1SMN1; SMN2
SCHEMBL562027 0.82 HSD17B10 (0.48) GPR35TSHRTDP1ALDH1A1SMN1; SMN2
SCHEMBL29595518 0.82 HSD17B10 (0.48) GPR35TSHRTDP1ALDH1A1SMN1; SMN2
SCHEMBL13982688 0.81 TSHR (0.41) GPR35TSHRTDP1ALDH1A1SMN1; SMN2
SCHEMBL622040 0.81 GPR35 (0.53) GPR35TSHRTDP1ALDH1A1SMN1; SMN2
SCHEMBL28411146 0.80 ALDH1A1 (0.47) GPR35TSHRTDP1ALDH1A1PTPN11
SCHEMBL16951559 0.79 TDP1 (0.39) GPR35TSHRTDP1ALDH1A1PTPN11
SCHEMBL18825129 0.79 TDP1 (0.45) GPR35TSHRTDP1ALDH1A1SMN1; SMN2
SCHEMBL11451783 0.79 TDP1 (0.67) GPR35TSHRTDP1ALDH1A1SMN1; SMN2
SCHEMBL1926046 0.79 TSHR (0.71) GPR35TSHRTDP1ALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0293073-B1 CHROMAN-6-SULPHONYL DERIVATIVES Wendstone Chemicals P.L.C. (GB) 1991-09-18 EP claimed
US-4582947-A Nucleophilic displacement process for preparing 2,6-dihydrocarbonyl-4-(nitroaryl)phenol ETHYL CORPORATION (US) 1986-04-15 US disclosed