SCHEMBL15230239

SCHEMBL15230239

O=c1ccc2cc(CBr)ccc2[nH]1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 2/20 0.55
▸ CA9 Q16790 2/20 0.55
▸ F11 P03951 1/20 0.55
▸ MAPT P10636 2/20 0.49
▸ AR P10275 1/20 0.47
▸ CA1 P00915 1/20 0.47
▸ CA3 P07451 1/20 0.47
▸ CA4 P22748 1/20 0.47
▸ CA6 P23280 1/20 0.47
▸ CA5A P35218 1/20 0.47
▸ CA7 P43166 1/20 0.47
▸ CA13 Q8N1Q1 1/20 0.47
▸ CA14 Q9ULX7 1/20 0.47
▸ CA5B Q9Y2D0 1/20 0.47
▸ POLB P06746 3/20 0.46
▸ RXFP1 Q9HBX9 1/20 0.46
▸ PKM P14618 1/20 0.44
▸ PDE3B Q13370 1/20 0.42
▸ PDE3A Q14432 1/20 0.42
▸ TP53 P04637 2/20 0.41

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
SCHEMBL31355055 0.87 CA12 (0.48) CA12CA9F11MAPTAR
SCHEMBL1119897 0.87 CA12 (0.48) CA12CA9F11MAPTAR
SCHEMBL19376174 0.81 CA12 (0.55) CA12CA9F11MAPTAR
SCHEMBL30636806 0.81 CA12 (0.55) CA12CA9F11MAPTAR
SCHEMBL764001 0.81 CA12 (0.59) CA12CA9F11MAPTAR
SCHEMBL16044071 0.81 F11 (0.59) CA12CA9F11MAPTAR
SCHEMBL27239601 0.81 CA12 (0.55) CA12CA9F11MAPTAR
SCHEMBL9269642 0.77 CA12 (0.54) CA12CA9F11MAPTAR
SCHEMBL21024968 0.77 CA12 (0.54) CA12CA9F11MAPTAR
SCHEMBL30114885 0.77 CA12 (0.54) CA12CA9F11MAPTAR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4337662-A1 C-LINKED INHIBITORS OF ENL/AF9 YEATS Bridge Medicines (US) 2024-03-20 — — EP disclosed
WO-2022240830-A1 C-LINKED INHIBITORS OF ENL/AF9 YEATS BRIDGE MEDICINES (US) 2022-11-17 — — WO disclosed
EP-2819996-A1 6 - ALKYNYL PYRIDINES AS SMAC MIMETICS Boehringer Ingelheim International GmbH (DE) 2015-01-07 — — EP disclosed
WO-2013127729-A1 6 - ALKYNYL PYRIDINES AS SMAC MIMETICS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-09-06 — — WO disclosed
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