SCHEMBL3663606

SCHEMBL3663606

O=c1ccc2cc(CBr)ccc2o1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 10/20 0.69
CA9 Q16790 10/20 0.69
CA4 P22748 7/20 0.69
CA2 P00918 6/20 0.69
CA3 P07451 6/20 0.69
CA5A P35218 6/20 0.69
CA7 P43166 6/20 0.69
CA14 Q9ULX7 6/20 0.69
CA5B Q9Y2D0 6/20 0.69
CA1 P00915 6/20 0.69
CA6 P23280 5/20 0.69
ALDH1A1 P00352 3/20 0.55
MCL1 Q07820 3/20 0.55
CYP19A1 P11511 1/20 0.52
LMNA P02545 3/20 0.51
CYP1A2 P05177 2/20 0.51
CYP3A4 P08684 2/20 0.51
MAPT P10636 2/20 0.51
HPGD P15428 2/20 0.51
ALOX15 P16050 2/20 0.51

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
SCHEMBL2978737 0.87 CA12 (0.62) CA12CA9CA4CA2CA3
SCHEMBL31741273 0.81 CA12 (0.69) CA12CA9CA4CA2CA3
SCHEMBL10350668 0.81 CA12 (1.00) CA12CA9CA4CA2CA3
SCHEMBL8750141 0.81 CA12 (0.69) CA12CA9CA4CA2CA3
SCHEMBL28776384 0.81 CA12 (1.00) CA12CA9CA4CA2CA3
SCHEMBL4926628 0.80 CA12 (0.67) CA12CA9CA4CA2CA3
SCHEMBL30843838 0.79 CA12 (0.75) CA12CA9CA4CA2CA3
SCHEMBL21657215 0.79 CA12 (0.65) CA12CA9CA4CA2CA3
SCHEMBL4927952 0.79 CA12 (0.75) CA12CA9CA4CA2CA3
SCHEMBL4927828 0.77 CA12 (0.68) CA12CA9CA4CA2CA3

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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119176798-A Dihydropyrimidinone-coumarin derivative and preparation method thereof 宜春学院 2024-12-24 CN claimed
CN-117866620-A Cucurbituril [7] -cyclodextrin cascade assembled supermolecule system for specifically detecting trivalent gold and preparation method thereof 曲阜师范大学 2024-04-12 CN claimed
CN-119060024-B Aryl benzyl ether compound with affinity with monoamine oxidase B and application thereof BEIJING NORMAL UNIVERSITY (CN) 2026-05-26 CN disclosed
CN-119707900-A Coumarin hydrazone derivatives with antioxidant activity and application thereof 常州大学 2025-03-28 CN disclosed
CN-119176798-A Dihydropyrimidinone-coumarin derivative and preparation method thereof 宜春学院 2024-12-24 CN disclosed
CN-119060024-A Aryl benzyl ether compound with affinity with monoamine oxidase B and application thereof 北京师范大学 2024-12-03 CN disclosed
CN-118852077-A Coumarin derivatives with breast cancer resisting activity and application thereof 常州大学 2024-10-29 CN disclosed
CN-115894461-B Novel coumarin-containing azole derivative, and preparation method and application thereof 沈阳药科大学 2024-01-23 CN disclosed
CN-116948631-A Macrocyclic mediated photoinduced emission enhanced high reversible supermolecule optical switch system, preparation and application in targeted cell imaging and anti-counterfeiting 曲阜师范大学 2023-10-27 CN disclosed
CN-115894461-A Novel coumarin azole-containing derivative and preparation method and application thereof 沈阳药科大学 2023-04-04 CN disclosed
CN-112426420-B Application of coumarin-dithiocarbamate derivative in preparation of antitumor drugs 浙江大学 2021-12-28 CN disclosed
US-5922719-A 4-AROMATIC-SUBSTITUTED-PIPERAZIN-1-YLMETHYLCHROMEN-2-ONES WARNER-LAMBERT COMPANY (US) 1999-07-13 US disclosed
US-5763437-A Benzodiazepine derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-06-09 US disclosed
EP-0804425-A2 BENZODIAZEPINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-11-05 EP disclosed
WO-1996004254-A2 BENZODIAZEPINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-02-15 WO disclosed
EP-0538416-B1 SUBSTITUTED MONOCYCLIC ARYL COMPOUNDS EXHIBITING SELECTIVE LEUKOTRIENE B 4 ANTAGONIST ACTIVITY RHONE POULENC RORER INT (US) 1995-08-09 EP disclosed
EP-0538416-A4 SUBSTITUTED MONOCYCLIC ARYL COMPOUNDS EXHIBITING SELECTIVE LEUKOTRIENE B 4? ANTAGONIST ACTIVITY RHONE POULENC RORER INT (US) 1994-05-18 EP disclosed
US-5232948-A SUBSTITUTED MONOCYCLIC ARYL COMPOUNDS EXHIBITING SELECTIVE LEUKOTRIENE B4 ANTAGONIST ACTIVITY RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1993-08-03 US disclosed
EP-0538416-A1 SUBSTITUTED MONOCYCLIC ARYL COMPOUNDS EXHIBITING SELECTIVE LEUKOTRIENE B 4? ANTAGONIST ACTIVITY. RHONE POULENC RORER INT (US) 1993-04-28 EP disclosed
WO-1992004315-A1 SUBSTITUTED MONOCYCLIC ARYL COMPOUNDS EXHIBITING SELECTIVE LEUKOTRIENE B4 ANTAGONIST ACTIVITY RHONE-POULENC RORER INTERNATIONAL (HOLDINGS), INC. (US) 1992-03-19 WO disclosed