SCHEMBL8849145

SCHEMBL8849145

O=C(/N=N/C(=O)OCc1ccc([N+](=O)[O-])cc1)OCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.56
RAB9A P51151 2/20 0.55
AKR1C3 P42330 1/20 0.54
HTT P42858 1/20 0.51
HTR2A P28223 1/20 0.51
ALDH1A1 P00352 3/20 0.50
MAOB P27338 1/20 0.50
TSHR P16473 1/20 0.49
MAPT P10636 1/20 0.48
POLB P06746 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48

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
SCHEMBL8849150 1.00 IDO1 (0.56) IDO1RAB9AAKR1C3HTTHTR2A
SCHEMBL18776419 0.87 IDO1 (0.53) IDO1RAB9AAKR1C3HTTHTR2A
SCHEMBL11165854 0.87 IDO1 (0.57) IDO1RAB9AAKR1C3HTTHTR2A
SCHEMBL992269 0.84 IDO1 (0.50) IDO1RAB9AAKR1C3HTTHTR2A
SCHEMBL37664 0.84 HTR2A (0.62) IDO1RAB9AAKR1C3HTTHTR2A
SCHEMBL2299037 0.83 AKR1C3 (0.51) IDO1RAB9AAKR1C3HTTHTR2A
SCHEMBL37665 0.82 AKR1C3 (0.62) IDO1RAB9AAKR1C3HTTHTR2A
SCHEMBL6399778 0.82 IDO1 (0.59) IDO1RAB9AAKR1C3HTTHTR2A
SCHEMBL1013 0.81 IDO1 (0.62) IDO1RAB9AAKR1C3HTTHTR2A
SCHEMBL11182492 0.81 IDO1 (0.58) IDO1RAB9AAKR1C3HTTHTR2A

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-0581618-B1 Rubber composition and production thereof SUMITOMO CHEMICAL CO (JP) 1997-06-18 EP disclosed
US-5362794-A Butadiene-styrene rubber, azodocarboxylic ester; automobile tires SUMITOMO CHEMICAL COMPANY, LTD. (JP) 1994-11-08 US disclosed
EP-0581618-A1 Rubber composition and production thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1994-02-02 EP disclosed