SCHEMBL11099244

SCHEMBL11099244

COc1cccc2c(=O)[nH]c(-c3ccc(OCCCCl)cc3)nc12

nearest known ligand 0.74

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TNKS O95271 15/20 0.74
▸ TNKS2 Q9H2K2 15/20 0.74
▸ PARP1 P09874 7/20 0.74
▸ PARP2 Q9UGN5 8/20 0.69
▸ CYP1B1 Q16678 1/20 0.50
▸ GUSB P08236 2/20 0.49
▸ NPC1 O15118 1/20 0.49
▸ CASP3 P42574 1/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ SENP7 Q9BQF6 1/20 0.49
▸ SENP6 Q9GZR1 1/20 0.49

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
SCHEMBL7568249 0.86 TNKS (1.00) TNKSTNKS2PARP1PARP2GUSB
SCHEMBL11100167 0.86 TNKS (0.66) TNKSTNKS2PARP1PARP2CYP1B1
SCHEMBL15775173 0.82 TNKS (1.00) TNKSTNKS2PARP1PARP2GUSB
SCHEMBL15775361 0.81 TNKS (1.00) TNKSTNKS2PARP1PARP2
SCHEMBL165829 0.81 TNKS (1.00) TNKSTNKS2PARP1PARP2
SCHEMBL1387257 0.81 TNKS (1.00) TNKSTNKS2PARP1PARP2GUSB
SCHEMBL15775410 0.80 TNKS (1.00) TNKSTNKS2PARP1PARP2CYP1B1
SCHEMBL15775274 0.80 TNKS (1.00) TNKSTNKS2PARP1PARP2
SCHEMBL11102850 0.80 TNKS (0.79) TNKSTNKS2PARP1PARP2GUSB
Hydrochloric Acid SCHEMBL28060794 0.80 TNKS (0.97) TNKSTNKS2PARP1PARP2

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-0054132-B1 PYRIMIDONES, THEIR PREPARATION AND MEDICINES CONTAINING THEM Dr. Karl Thomae GmbH (DE) 1984-10-10 — — EP disclosed
US-4379788-A HYPOTENSIVES, ANTIARRHYTHMIA, B-BLOCKERS DR. KARL THOMAE GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1983-04-12 — — US disclosed
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