SCHEMBL27749321

SCHEMBL27749321

Cc1c(-c2ccnn2-c2ccc(Cl)cc2)cc(C(=O)O)c(=O)n1-c1cccc(C(F)(F)F)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 2/20 0.66
CCR1 P32246 7/20 0.49
NOTUM Q6P988 1/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
MAPT P10636 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
HSP90AA1 P07900 1/20 0.44
POLB P06746 1/20 0.41
NPBWR1 P48145 1/20 0.40
MCHR1 Q99705 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
MPO P05164 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL28777146 0.92 ELANE (0.67) ELANECCR1NOTUMMEN1KMT2A
SCHEMBL2273635 0.91 ELANE (0.81) ELANECCR1NOTUMMEN1KMT2A
SCHEMBL985971 0.89 ELANE (0.83) ELANENOTUMMEN1KMT2APOLB
SCHEMBL560968 0.85 ELANE (0.63) ELANENOTUMMEN1KMT2APOLB
SCHEMBL4452188 0.83 KMT2A (0.51) ELANECCR1NOTUMMEN1KMT2A
SCHEMBL3156451 0.83 ELANE (0.61) ELANECCR1NOTUMMEN1KMT2A
SCHEMBL2277940 0.82 ELANE (0.82) ELANECCR1NOTUMMEN1KMT2A
SCHEMBL17378390 0.82 ELANE (0.83) ELANEMEN1KMT2ACYP3A4CYP2C9
SCHEMBL18879434 0.81 ELANE (0.82) ELANENOTUMMEN1KMT2ACYP3A4
SCHEMBL27888247 0.80 ELANE (0.80) ELANECCR1NOTUMMEN1KMT2A

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-101490033-A 2-pyridone derivatives for the treatment of disease or condition in which inhibition of neutrophil elastase activity is beneficial ASTRAZENECA AB (SE) 2009-07-22 CN disclosed