SCHEMBL7853546

SCHEMBL7853546

CCOC(=O)CN(C)C(=O)c1cscc1C(=O)c1ccc(F)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.40
KMT2A Q03164 5/20 0.40
LMNA P02545 4/20 0.40
MEN1 O00255 3/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
CASP3 P42574 1/20 0.38
TRPV1 Q8NER1 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
PDK1 Q15118 1/20 0.37
PDK2 Q15119 1/20 0.37
PDK3 Q15120 1/20 0.37
PDK4 Q16654 1/20 0.37
KDM4E B2RXH2 4/20 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
SCHEMBL8785261 0.85 LMNA (0.46) MAPTKMT2ALMNAMEN1CYP1A2
SCHEMBL7854914 0.82 MAPT (0.39) MAPTKMT2ALMNAMEN1CYP1A2
SCHEMBL7850534 0.82 KDM4E (0.39) MAPTKMT2ALMNAMEN1CYP1A2
SCHEMBL7855091 0.80 LTA4H (0.40) MAPTKMT2ALMNAMEN1CYP1A2
SCHEMBL7852199 0.78 MAPT (0.38) MAPTKMT2ALMNAMEN1CYP1A2
SCHEMBL7851483 0.76 MAPT (0.40) MAPTKMT2ALMNAMEN1CYP1A2
SCHEMBL7851006 0.74 MAPT (0.38) MAPTKMT2ALMNAMEN1CYP1A2
SCHEMBL7851238 0.74 KMT2A (0.40) MAPTKMT2ALMNAMEN1CYP1A2
SCHEMBL7854655 0.71 HPGD (0.43) KMT2ALMNAMEN1CA12CA1
SCHEMBL28583372 0.70 MAPT (0.45) MAPTKMT2ALMNAKDM4EGAA

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