SCHEMBL6794027

SCHEMBL6794027

O=C1CC(=O)CC(c2cc(F)ccc2F)C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.46
KDM1B Q8NB78 1/20 0.46
TP53 P04637 1/20 0.44
RECQL P46063 1/20 0.44
MAPT P10636 2/20 0.41
GAA P10253 1/20 0.41
KMT2A Q03164 3/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
HCAR2 Q8TDS4 3/20 0.40
DPP4 P27487 3/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CHRNB2 P17787 1/20 0.37
CHRNB4 P30926 1/20 0.37
CHRNA3 P32297 1/20 0.37
CHRNA4 P43681 1/20 0.37
POLB P06746 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TDP1 Q9NUW8 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
SCHEMBL426443 0.92 KDM1A (0.53) KDM1AKDM1BKMT2AMEN1NPC1
SCHEMBL1782899 0.85 TP53 (0.44) TP53RECQLMAPTGAAKMT2A
SCHEMBL7683113 0.84 TP53 (0.51) TP53RECQLMAPTGAAKMT2A
SCHEMBL7685976 0.82 TP53 (0.42) TP53RECQLMAPTGAAKMT2A
SCHEMBL6794592 0.82 SLC9A1 (0.43) TP53RECQLMAPTGAACA1
SCHEMBL6796450 0.82 TP53 (0.59) TP53RECQLMAPTGAAKMT2A
SCHEMBL6804449 0.81 KDM1A (0.54) KDM1AKDM1BKMT2AMEN1NPC1
SCHEMBL1782611 0.79 TP53 (0.42) TP53RECQLMAPTGAAKMT2A
SCHEMBL11824957 0.79 TP53 (0.59) TP53RECQLMAPTGAA
SCHEMBL30368483 0.79 TP53 (0.42) TP53RECQLMAPTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6706732-B1 PROPHYLACTIC AND THERAPEUTIC EFFECT ON MYOCARDIAL INFARCTION AND ACCOMPANYING DYSFUNCTIONS, ARRHYTHMIA, UNSTABLE ANGINA, CARDIAC HYPERTROPHY, ETC.; SODIUM-PROTON EXCHANGE INHIBITION TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2004-03-16 US disclosed
EP-1182194-A1 PERNASAL PREPARATIONS Takeda Chemical Industries, Ltd. (JP) 2002-02-27 EP disclosed