SCHEMBL6796888

SCHEMBL6796888

Cc1cc(C)c2c(n1)CC(c1cc(F)ccc1C)CC2=O

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALPL P05186 1/20 0.41
SLC9A1 P19634 4/20 0.38
SLC9A2 Q9UBY0 4/20 0.38
SLC9A3 P48764 2/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
HSP90AA1 P07900 1/20 0.36
HSP90AB1 P08238 1/20 0.36
HPGD P15428 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
SCHEMBL7689751 0.83 HPGD (0.51) MEN1KMT2AHSP90AA1HSP90AB1HPGD
SCHEMBL6804541 0.82 ALPL (0.41) ALPLSLC9A1SLC9A2SLC9A3
SCHEMBL7689622 0.82 HSP90AA1 (0.41) ALPLMEN1KMT2AHSP90AA1HSP90AB1
SCHEMBL7681338 0.81 ALPL (0.41) ALPLSLC9A1SLC9A2SLC9A3
SCHEMBL7690465 0.77 TP53 (0.46) HSP90AA1HSP90AB1HPGD
SCHEMBL7685559 0.76 HSP90AA1 (0.61) ALPLMEN1KMT2AHSP90AA1HSP90AB1
Hydrochloric Acid SCHEMBL6804928 0.74 SLC9A1 (0.44) SLC9A1SLC9A2SLC9A3
Hydrochloric Acid SCHEMBL6804933 0.74 SLC9A1 (0.44) SLC9A1SLC9A2SLC9A3
SCHEMBL12958096 0.74 SLC9A1 (0.45) SLC9A1SLC9A2SLC9A3
SCHEMBL6795178 0.73 ALPL (0.41) ALPL

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