SCHEMBL27725852

SCHEMBL27725852

C=Cc1cc(C(=O)O)c(=O)n(-c2cccc(C(F)(F)F)c2)c1C

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 5/20 0.60
POLB P06746 1/20 0.45
CYP1A2 P05177 1/20 0.44
CFTR P13569 2/20 0.43
ALKBH5 Q6P6C2 1/20 0.43
ELANE P08246 2/20 0.43
KMT2A Q03164 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
GSR P00390 1/20 0.39
PLA2G10 O15496 1/20 0.39

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
SCHEMBL4157069 0.86 CYP1A2 (0.48) NOTUMCYP1A2ELANELMNAMAPT
SCHEMBL5752612 0.86 NOTUM (0.76) NOTUMPOLBCYP1A2ALKBH5ELANE
SCHEMBL29808797 0.86 NOTUM (0.76) NOTUMPOLBCYP1A2ALKBH5ELANE
SCHEMBL8065166 0.83 NOTUM (0.65) NOTUMPOLBCYP1A2CFTRALKBH5
SCHEMBL984085 0.82 NOTUM (0.64) NOTUMPOLBCYP1A2CFTRALKBH5
SCHEMBL4152306 0.81 NOTUM (0.62) NOTUMPOLBCYP1A2ALKBH5ELANE
SCHEMBL560810 0.81 NOTUM (0.61) NOTUMPOLBCYP1A2CFTRALKBH5
SCHEMBL8063220 0.81 NOTUM (0.61) NOTUMPOLBCYP1A2ALKBH5ELANE
SCHEMBL8236829 0.80 NOTUM (0.60) NOTUMPOLBCYP1A2ALKBH5ELANE
SCHEMBL4022781 0.80 NOTUM (0.63) NOTUMPOLBCYP1A2ALKBH5ELANE

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
CN-101142189-A 2-pyridine derivatives as inhibitors of neutrophile elastase ASTRAZENECA AB (SE) 2008-03-12 CN disclosed