SCHEMBL8724149

SCHEMBL8724149

O=Cc1cccc(NO)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UNG P13051 1/20 0.48
ALDH1A1 P00352 2/20 0.48
SRC P12931 1/20 0.43
IDO1 P14902 1/20 0.42
CYP2A6 P11509 1/20 0.42
TRIM24 O15164 1/20 0.42
TRIM33 Q9UPN9 1/20 0.42
KDM4E B2RXH2 1/20 0.40
PTGS2 P35354 1/20 0.40
RAB9A P51151 1/20 0.40
HTR7 P34969 1/20 0.38
MMP1 P03956 4/20 0.38
MMP2 P08253 4/20 0.38
MMP9 P14780 4/20 0.38
SNCA P37840 1/20 0.37
MAOA P21397 5/20 0.37
MAOB P27338 5/20 0.37
EGFR P00533 3/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 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
SCHEMBL29951547 1.00 UNG (0.48) UNGALDH1A1SRCIDO1CYP2A6
SCHEMBL19481503 0.78 ALDH1A1 (0.48) UNGALDH1A1SRCCYP2A6TRIM24
SCHEMBL9609000 0.78 ALDH1A1 (0.48) UNGALDH1A1SRCIDO1CYP2A6
SCHEMBL95532 0.78 ALDH1A1 (0.48) UNGALDH1A1SRCCYP2A6TRIM24
SCHEMBL4098066 0.78 ALDH1A1 (0.54) UNGALDH1A1SRCCYP2A6TRIM24
SCHEMBL6959297 0.78 UNG (0.53) UNGALDH1A1TRIM24TRIM33MMP1
SCHEMBL13299323 0.78 ALDH1A1 (0.48) UNGALDH1A1SRCCYP2A6TRIM24
SCHEMBL29712437 0.77 ALDH1A1 (0.60) UNGALDH1A1CYP2A6TRIM24TRIM33
SCHEMBL416655 0.77 ALDH1A1 (0.60) UNGALDH1A1CYP2A6TRIM24TRIM33
SCHEMBL7133739 0.76 GAA (0.47) UNGALDH1A1TRIM24TRIM33MMP1

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
WO-1998045298-A1 ANTIVIRAL AGENTS SMITHKLINE BEECHAM PLC (GB) 1998-10-15 WO disclosed