SCHEMBL7701247

SCHEMBL7701247

COC(=O)C1CCOc2c(I)cccc2C1=O

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 3/20 0.35
CD274 Q9NZQ7 3/20 0.35
MAPT P10636 2/20 0.33
POLB P06746 2/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
ALDH1A1 P00352 1/20 0.33
ITGA4 P13612 1/20 0.33
IDH1 O75874 1/20 0.32

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
SCHEMBL7381743 0.86 ALDH1A1 (0.44) MAPTKDM4ELMNAALDH1A1
SCHEMBL914231 0.79 CYP19A1 (0.43) MAPTKDM4EALDH1A1ITGA4
SCHEMBL7387427 0.73 ALDH1A1 (0.46) MAPTPOLBKDM4EALDH1A1
SCHEMBL7381949 0.73 MAPT (0.41) MAPTPOLBKDM4ELMNAALDH1A1
SCHEMBL7703383 0.72 ALDH1A1 (0.45) MAPTKDM4EALDH1A1
SCHEMBL7701240 0.72 SLC6A4 (0.33)
SCHEMBL7537264 0.72 ALDH1A1 (0.44) MAPTPOLBKDM4ELMNAALDH1A1
SCHEMBL7376997 0.71 RAB9A (0.44) MAPTKDM4ELMNAALDH1A1
SCHEMBL10334508 0.70 IMPDH2 (0.41) MAPTPOLBKDM4EALDH1A1
SCHEMBL915090 0.70 MAOB (0.38) KDM4EALDH1A1

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
US-6346527-B1 1-BENZOXEPIN DERIVATIVES USED IN THE PREVENTION OF SODIUM AND HYDROGEN ION EXCHANGE; CARDIOVASCULAR, KIDNEY AND BRAIN DISORDER TREATMENT; ARTERIOSCLEROSIS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-02-12 US disclosed
EP-1073650-A1 GUANIDINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-02-07 EP disclosed
WO-1999055690-A1 GUANIDINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-11-04 WO disclosed