SCHEMBL11100686

SCHEMBL11100686

CC(=O)Oc1ccc(-c2nc3ccc(C)cc3c(=O)o2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.58
▸ MAPT P10636 7/20 0.58
▸ ALDH1A1 P00352 5/20 0.58
▸ TP53 P04637 3/20 0.58
▸ LMNA P02545 2/20 0.58
▸ KDM4E B2RXH2 4/20 0.57
▸ GAA P10253 1/20 0.57
▸ CD74 P04233 1/20 0.56
▸ MIF P14174 1/20 0.56
▸ MAOB P27338 1/20 0.54
▸ NPC1 O15118 3/20 0.53
▸ RAB9A P51151 3/20 0.53
▸ PKM P14618 1/20 0.53
▸ ELANE P08246 1/20 0.51
▸ KMT2A Q03164 2/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ PTK2B Q14289 1/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ C1R P00736 1/20 0.50
▸ HSD17B10 Q99714 1/20 0.46

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
SCHEMBL6565958 0.90 POLB (0.70) POLBMAPTALDH1A1TP53LMNA
SCHEMBL11104577 0.88 POLB (0.61) POLBMAPTALDH1A1TP53LMNA
SCHEMBL17254710 0.87 ALDH1A1 (0.77) POLBMAPTALDH1A1TP53LMNA
SCHEMBL17254822 0.87 MAOB (0.47) POLBMAPTALDH1A1TP53LMNA
SCHEMBL17254743 0.86 ALDH1A1 (0.53) POLBMAPTALDH1A1TP53LMNA
SCHEMBL2333007 0.85 RAB9A (0.69) POLBMAPTALDH1A1TP53LMNA
SCHEMBL6565635 0.85 POLB (0.67) POLBMAPTALDH1A1TP53LMNA
SCHEMBL914374 0.84 ALDH1A1 (0.76) POLBMAPTALDH1A1TP53LMNA
SCHEMBL17254733 0.82 POLB (0.55) POLBMAPTALDH1A1TP53LMNA
SCHEMBL6567424 0.82 ELANE (0.62) POLBMAPTALDH1A1TP53LMNA

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
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
EP-0054132-A1 Pyrimidones, their preparation and medicines containing them Dr. Karl Thomae GmbH (DE) 1982-06-23 — — EP disclosed
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