SCHEMBL7852199

SCHEMBL7852199

CCOC(=O)CN(C)C(=O)c1c(C(=O)c2ccc(F)cc2)ccn1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.38
LMNA P02545 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HRH2 P25021 1/20 0.38
HRH1 P35367 1/20 0.38
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
CASP3 P42574 1/20 0.36
TRPV1 Q8NER1 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
PDK1 Q15118 1/20 0.36
PDK2 Q15119 1/20 0.36
PDK3 Q15120 1/20 0.36

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
SCHEMBL8785261 0.80 LMNA (0.46) MAPTLMNAMEN1KMT2ACYP1A2
SCHEMBL7853546 0.78 MAPT (0.40) MAPTLMNAMEN1KMT2ACYP1A2
SCHEMBL7854914 0.77 MAPT (0.39) MAPTLMNAMEN1KMT2ACYP1A2
SCHEMBL7855091 0.75 LTA4H (0.40) MAPTLMNAMEN1KMT2ACYP1A2
SCHEMBL7850534 0.74 KDM4E (0.39) MAPTLMNAMEN1KMT2ACYP1A2
SCHEMBL7841679 0.73 ATM (0.43) MAPTLMNANPSR1CA1CA2
SCHEMBL7851483 0.73 MAPT (0.40) MAPTLMNAMEN1KMT2ACYP1A2
SCHEMBL7851006 0.70 MAPT (0.38) MAPTLMNAMEN1KMT2ACYP1A2
SCHEMBL7851238 0.70 KMT2A (0.40) MAPTLMNAMEN1KMT2ACYP1A2
SCHEMBL15986419 0.69 MAPT (0.47) MAPTLMNAMEN1KMT2ACYP1A2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0652218-B1 Heterocyclic compounds, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2001-07-11 EP disclosed
US-5585385-A USEFUL IN TREATING DISORDERS OF MICTURITION; ADMINISTERING TO INHIBIT PLASMA EXTRAVASATION TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-12-17 US disclosed
EP-0652218-A1 Heterocyclic compounds, their production and use Takeda Chemical Industries, Ltd. (JP) 1995-05-10 EP disclosed