SCHEMBL7573477

SCHEMBL7573477

CCc1ccccc1Nc1c(C(=O)O)cccc1C(=O)O

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLCN2 P51788 3/20 0.77
PTGS2 P35354 7/20 0.56
MAPT P10636 2/20 0.51
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 1/20 0.51
GAA P10253 1/20 0.51
RAB9A P51151 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
AKR1B10 O60218 3/20 0.49
ABCB11 O95342 3/20 0.49
PTGS1 P23219 3/20 0.49
TTR P02766 3/20 0.49
TRPA1 O75762 2/20 0.49
MT-CO2 P00403 2/20 0.49
ADRA1A P35348 2/20 0.49
UGT1A9 O60656 1/20 0.49
ALB P02768 1/20 0.49
CXCL8 P10145 1/20 0.49
UGT1A6 P19224 1/20 0.49
UGT1A1 P22309 1/20 0.49

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
SCHEMBL7759632 0.87 CLCN2 (1.00) CLCN2PTGS2MAPTAKR1B10ABCB11
SCHEMBL27516871 0.86 CLCN2 (0.76) CLCN2PTGS2MAPTKDM4EALDH1A1
SCHEMBL22169241 0.83 CLCN2 (0.71) CLCN2PTGS2MAPTKDM4EALDH1A1
SCHEMBL10699208 0.80 CLCN2 (0.66) CLCN2PTGS2MAPTKDM4EALDH1A1
SCHEMBL28277819 0.79 PTGS2 (0.59) CLCN2PTGS2KDM4EALDH1A1AKR1B10
Acetic Acid SCHEMBL3807274 0.78 PTGS2 (0.70) CLCN2PTGS2GAAAKR1B10ABCB11
SCHEMBL27661779 0.77 CLCN2 (0.63) CLCN2PTGS2MAPTKDM4EALDH1A1
SCHEMBL23643039 0.77 KMT2A (0.60) CLCN2MAPTALDH1A1GAAKMT2A
SCHEMBL7164856 0.77 PTGS2 (0.83) CLCN2PTGS2GAAAKR1B10ABCB11
SCHEMBL20419707 0.76 CLCN2 (0.75) CLCN2PTGS2MAPTAKR1B10ABCB11

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-0934278-B1 BIS(ACRIDINECARBOXAMIDE) AND BIS(PHENAZINECARBOXAMIDE) AS ANTITUMOUR AGENTS XENOVA LTD (GB) 2002-09-04 EP disclosed
US-6114332-A BACTERICIDES XENOVA LIMITED (GB) 2000-09-05 US disclosed