SCHEMBL15220401

SCHEMBL15220401

COc1ccc(N(c2ccc(Br)cc2)c2ccc(Br)cc2)c(OC)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
PTGES O14684 1/20 0.44
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
TP53 P04637 1/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CYP3A4 P08684 3/20 0.41
CYP1A2 P05177 3/20 0.41
ALDH1A1 P00352 2/20 0.41
CYP1A1 P04798 2/20 0.41
CYP1B1 Q16678 2/20 0.41
MAPT P10636 2/20 0.39

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
SCHEMBL8944063 0.90 CA12 (0.52) CA12CA1CA2CA7CA9
SCHEMBL8943675 0.86 CA12 (0.52) CA12CA1CA2CA7CA9
SCHEMBL19958555 0.85 CA12 (0.47) CA12CA1CA2CA7CA9
SCHEMBL16421022 0.85 CA12 (0.47) CA12CA1CA2CA7CA9
SCHEMBL14126440 0.83 CA12 (0.46) CA12CA1CA2CA7CA9
SCHEMBL8944319 0.83 CA12 (0.46) CA12CA1CA2CA7CA9
SCHEMBL15212624 0.83 CA12 (0.48) CA12CA1CA2CA7CA9
SCHEMBL8943694 0.82 CA12 (0.60) CA12CA1CA2CA7CA9
SCHEMBL22015333 0.81 CA12 (0.43) CA12CA1CA2CA7CA9
SCHEMBL10888170 0.81 CA12 (0.43) CA12CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2817364-B1 ORGANIC SEMICONDUCTOR COMPOSITIONS SMARTKEM LTD (GB) 2022-09-07 EP disclosed
EP-3998304-A2 ORGANIC SEMICONDUCTOR COMPOSITIONS SmartKem Limited (GB) 2022-05-18 EP disclosed
EP-3998304-A2 ORGANIC SEMICONDUCTOR COMPOSITIONS SmartKem Limited (GB) 2022-05-18 EP disclosed
US-10580989-B2 Organic semiconductor compositions SMARTKEM LIMITED (GB) 2020-03-03 US disclosed
US-10580989-B2 Organic semiconductor compositions SMARTKEM LIMITED (GB) 2020-03-03 US disclosed
US-20180062080-A1 ORGANIC SEMICONDUCTOR COMPOSITIONS SMARTKEM LIMITED (GB) 2018-03-01 US disclosed
US-20180062080-A1 ORGANIC SEMICONDUCTOR COMPOSITIONS SMARTKEM LIMITED (GB) 2018-03-01 US disclosed
US-20180062080-A1 ORGANIC SEMICONDUCTOR COMPOSITIONS SMARTKEM LIMITED (GB) 2018-03-01 US disclosed
US-9799830-B2 Organic semiconductor compositions SMARTKEM LIMITED (GB) 2017-10-24 US disclosed
US-9799830-B2 Organic semiconductor compositions SMARTKEM LIMITED (GB) 2017-10-24 US disclosed
US-9799830-B2 Organic semiconductor compositions SMARTKEM LIMITED (GB) 2017-10-24 US disclosed
US-20150028261-A1 ORGANIC SEMICONDUCTOR COMPOSITIONS SMARTKEM LIMITED (GB) 2015-01-29 US disclosed
US-20150028261-A1 ORGANIC SEMICONDUCTOR COMPOSITIONS SMARTKEM LIMITED (GB) 2015-01-29 US disclosed
US-20150028261-A1 ORGANIC SEMICONDUCTOR COMPOSITIONS SMARTKEM LIMITED (GB) 2015-01-29 US disclosed
WO-2013124682-A1 ORGANIC SEMICONDUCTOR COMPOSITIONS SMARTKEM LIMITED (GB) 2013-08-29 WO disclosed