Iodomethane

Iodomethane

SCHEMBL4667431

CI.COc1c(F)cc(Br)cc1F

nearest known ligand 0.38

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.38
CA2 P00918 1/20 0.38
CA4 P22748 1/20 0.38
TUBB1 Q9H4B7 5/20 0.37
MAPT P10636 2/20 0.36
PDGFRB P09619 1/20 0.35
PDGFRA P16234 1/20 0.35
DBH P09172 1/20 0.34
ALOX15 P16050 1/20 0.33
ALOX12 P18054 1/20 0.33
TUBB4A P04350 1/20 0.33
TUBB P07437 1/20 0.33
TUBA3C P0DPH7 1/20 0.33
TUBA1B P68363 1/20 0.33
TUBA4A P68366 1/20 0.33
TUBB4B P68371 1/20 0.33
TUBB3 Q13509 1/20 0.33
TUBB2A Q13885 1/20 0.33
TUBB8 Q3ZCM7 1/20 0.33
TUBA3E Q6PEY2 1/20 0.33

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
SCHEMBL10986 0.95 CA2 (0.41) HSD17B10CA2CA4TUBB1MAPT
SCHEMBL24252805 0.85 HSD17B10 (0.35) HSD17B10CA2CA4TUBB1MAPT
SCHEMBL17875684 0.84 HSD17B10 (0.50) HSD17B10CA2CA4TUBB1MAPT
SCHEMBL26927713 0.82 ALOX15 (0.47) CA2CA4TUBB1MAPTALOX15
SCHEMBL930657 0.82 KDM4E (0.40) HSD17B10CA2CA4TUBB1MAPT
SCHEMBL31500460 0.82 ALOX15 (0.47) CA2CA4TUBB1MAPTALOX15
SCHEMBL2309487 0.80 POLB (0.38) HSD17B10CA2CA4TUBB1MAPT
SCHEMBL15271622 0.80 ACLY (0.41) HSD17B10CA2CA4TUBB1MAPT
SCHEMBL16596078 0.80 TDP1 (0.46) HSD17B10CA2CA4TUBB1MAPT
SCHEMBL31190021 0.80 POLB (0.38) HSD17B10CA2CA4TUBB1MAPT

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
EP-1893619-A1 NEW OXABISPIDINE COMPOUNDS FOR THE TREATMENT OF CARDIAC ARRHYTMIAS AstraZeneca AB (SE) 2008-03-05 EP disclosed
WO-2006135316-A1 New oxabispidine compounds for the treatment of cardiac arrhythmias ASTRAZENECA AB (SE) 2006-12-21 WO disclosed