SCHEMBL6571359

SCHEMBL6571359

C=CCc1cccc([N+](=O)[O-])c1C(=N)N

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 1/20 0.40
ALDH1A1 P00352 3/20 0.39
GABRA1 P14867 1/20 0.39
GABRB2 P47870 1/20 0.39
TSHR P16473 1/20 0.39
PRSS1 P07477 5/20 0.39
TDP1 Q9NUW8 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
PRSS2 P07478 1/20 0.38
PRSS3 P35030 1/20 0.38
HPGD P15428 1/20 0.36
PLAU P00749 1/20 0.36
ERN1 O75460 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL4745178 0.80 L3MBTL1 (0.43) ALDH1A1TSHRTDP1L3MBTL1KDM4E
SCHEMBL1803625 0.79 SMN1; SMN2 (0.45) ALDH1A1GABRA1GABRB2TSHRTDP1
SCHEMBL425736 0.78 GPR35 (0.58) GPR35ALDH1A1GABRA1GABRB2TSHR
SCHEMBL10561069 0.78 ALDH1A1 (0.43) GPR35ALDH1A1GABRA1GABRB2TSHR
SCHEMBL1135905 0.77 ALDH1A1 (0.58) ALDH1A1TSHRTDP1L3MBTL1HPGD
SCHEMBL30367918 0.77 ALDH1A1 (0.58) ALDH1A1TSHRTDP1L3MBTL1HPGD
SCHEMBL10693919 0.76 TSHR (0.49) GPR35ALDH1A1GABRA1GABRB2TSHR
SCHEMBL10229496 0.76 ALDH1A1 (0.44) GPR35ALDH1A1GABRA1GABRB2TSHR
Bromide SCHEMBL28506426 0.76 ALDH1A1 (0.56) ALDH1A1TSHRTDP1L3MBTL1HPGD
SCHEMBL7079985 0.75 TDP1 (0.58) GPR35ALDH1A1GABRA1GABRB2TSHR

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
EP-1408026-A1 Alpha-amino-N-allylamidino nitrobenzene compound and synthesis EASTMAN KODAK COMPANY (US) 2004-04-14 EP disclosed