SCHEMBL7910137

SCHEMBL7910137

Cc1c(C2CC=NN2C)cc(C(=O)O)c(=O)n1-c1cccc(C(F)(F)F)c1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 3/20 0.51
ELANE P08246 4/20 0.42
POLB P06746 1/20 0.41
CYP1A2 P05177 1/20 0.40
GSR P00390 2/20 0.38
ALDH1A1 P00352 2/20 0.38
TSHR P16473 1/20 0.38
HTT P42858 1/20 0.38
BRD9 Q9H8M2 1/20 0.37
ALKBH5 Q6P6C2 1/20 0.37
MAPT P10636 2/20 0.37
LMNA P02545 1/20 0.37
KMT2A Q03164 1/20 0.37
NCOA1 Q15788 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
NCOA3 Q9Y6Q9 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
SCHEMBL4021502 0.82 NOTUM (0.59) NOTUMELANEPOLBCYP1A2ALDH1A1
SCHEMBL7903085 0.79 ELANE (0.66) ELANE
SCHEMBL5752612 0.78 NOTUM (0.76) NOTUMELANEPOLBCYP1A2GSR
SCHEMBL29808797 0.78 NOTUM (0.76) NOTUMELANEPOLBCYP1A2GSR
SCHEMBL8065166 0.76 NOTUM (0.65) NOTUMELANEPOLBCYP1A2GSR
SCHEMBL984085 0.75 NOTUM (0.64) NOTUMELANEPOLBCYP1A2GSR
SCHEMBL4152306 0.74 NOTUM (0.62) NOTUMELANEPOLBCYP1A2GSR
SCHEMBL8063220 0.73 NOTUM (0.61) NOTUMELANEPOLBCYP1A2GSR
SCHEMBL560810 0.73 NOTUM (0.61) NOTUMELANEPOLBCYP1A2GSR
SCHEMBL8236829 0.72 NOTUM (0.60) NOTUMELANEPOLBCYP1A2ALKBH5

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-2010094964-A1 TOSYLATE SALT OF A 5-PYRAZOLYL-2-PYRIDONE DERIVATIVE, USEFUL IN THE TREATMENT OF COPD ASTRAZENECA AB (SE) 2010-08-26 WO disclosed