SCHEMBL9799041

SCHEMBL9799041

Cc1ccccc1Nc1ccc(C(=O)O)c(N)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 11/20 0.59
MAPK13 O15264 10/20 0.59
MAPK12 P53778 10/20 0.59
MAPK11 Q15759 10/20 0.59
TAS2R14 Q9NYV8 1/20 0.51
FABP4 P15090 2/20 0.47
MEN1 O00255 2/20 0.47
AKR1C3 P42330 2/20 0.47
AKR1C2 P52895 2/20 0.47
KMT2A Q03164 2/20 0.47
AKR1B10 O60218 1/20 0.47
TRPA1 O75762 1/20 0.47
ABCB11 O95342 1/20 0.47
DHFR P00374 1/20 0.47
LMNA P02545 1/20 0.47
MPO P05164 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CHRM1 P11229 1/20 0.47
CYP2C9 P11712 1/20 0.47

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
SCHEMBL27718639 0.86 MAPK13 (0.59) MAPK14MAPK13MAPK12MAPK11TAS2R14
SCHEMBL9798813 0.86 FABP4 (0.60) MAPK14MAPK13MAPK12MAPK11TAS2R14
SCHEMBL27509293 0.82 MAPK14 (0.75) MAPK14MAPK13MAPK12MAPK11TAS2R14
SCHEMBL7097760 0.78 MAPK13 (0.61) MAPK14MAPK13MAPK12MAPK11TAS2R14
SCHEMBL27718637 0.77 MAPK13 (0.59) MAPK14MAPK13MAPK12MAPK11TAS2R14
SCHEMBL22563033 0.77 MAPK14 (0.47) MAPK14MAPK13MAPK12MAPK11TDP1
SCHEMBL31426816 0.76 TDP1 (0.56) MAPK14MAPK13MAPK12MAPK11MEN1
SCHEMBL4186922 0.76 AKR1C3 (0.60) TAS2R14FABP4MEN1AKR1C3AKR1C2
SCHEMBL11581567 0.76 MEN1 (0.59) FABP4MEN1AKR1C3AKR1C2KMT2A
SCHEMBL13973364 0.76 TDP1 (0.56) MAPK14MAPK13MAPK12MAPK11MEN1

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
US-5008379-A Water soluble anionic dyes; lightfast brown color on leather SANDOZ LTD. (CH) 1991-04-16 US disclosed