SCHEMBL5912697

SCHEMBL5912697

COc1nnncc1-c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SQOR Q9Y6N5 5/20 0.45
▸ GABRA1 P14867 2/20 0.43
▸ GABRG2 P18507 2/20 0.43
▸ GABRB3 P28472 2/20 0.43
▸ GABRA5 P31644 2/20 0.43
▸ GABRA3 P34903 2/20 0.43
▸ NPC1 O15118 3/20 0.42
▸ RAB9A P51151 3/20 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
▸ KMT2A Q03164 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ CASP1 P29466 1/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ POLB P06746 1/20 0.37
▸ GABRA2 P47869 1/20 0.36

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
Phenol SCHEMBL27552762 0.92 GABRA1 (0.41) SQORGABRA1GABRG2GABRB3GABRA5
SCHEMBL28980654 0.79 GABRA1 (0.38) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL27852652 0.75 ALDH1A1 (0.53) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL20466855 0.75 AKT1 (0.42) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL56386 0.72 LMNA (0.44) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL28450082 0.71 MAPK1 (0.41) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL31425114 0.71 BACE1 (0.43) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL29632655 0.71 CYP2A6 (0.41) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL6246228 0.71 SMARCA2 (0.52) NPC1RAB9AKMT2AALDH1A1
SCHEMBL3820487 0.71 BACE1 (0.43) GABRA1GABRG2GABRB3GABRA5GABRA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116023662-B Sun-screening synergistic agent, preparation method thereof and application thereof in sun-screening cosmetics 万华化学集团股份有限公司 2024-02-02 — — CN claimed
CN-111358711-B Photosensitive material/calcium alginate core-shell nanocapsule dispersoid and preparation method thereof 万华化学集团股份有限公司 2023-08-11 — — CN claimed
CN-116023662-A Sun-screening synergistic agent, preparation method thereof and application thereof in sun-screening cosmetics 万华化学集团股份有限公司 2023-04-28 — — CN claimed
CN-111358711-A Photosensitive material/calcium alginate core-shell nanocapsule dispersion and preparation method thereof 万华化学集团股份有限公司 2020-07-03 — — CN claimed
CN-110917071-A Core-shell structure flexible bead, preparation method thereof and personal care product comprising core-shell structure flexible bead 上海万华科聚化工科技发展有限公司 2020-03-27 — — CN claimed
CN-114762661-B Low-temperature stable core-shell structure soft bead and preparation method thereof 万华化学集团股份有限公司 2024-02-02 — — CN disclosed
CN-116023662-B Sun-screening synergistic agent, preparation method thereof and application thereof in sun-screening cosmetics 万华化学集团股份有限公司 2024-02-02 — — CN disclosed
CN-111358711-B Photosensitive material/calcium alginate core-shell nanocapsule dispersoid and preparation method thereof 万华化学集团股份有限公司 2023-08-11 — — CN disclosed
CN-116023662-A Sun-screening synergistic agent, preparation method thereof and application thereof in sun-screening cosmetics 万华化学集团股份有限公司 2023-04-28 — — CN disclosed
CN-114762661-A Core-shell structure flexible bead stable at low temperature and preparation method thereof 万华化学集团股份有限公司 2022-07-19 — — CN disclosed
CN-109966174-B Preparation method and application of capsule dispersion 万华化学集团股份有限公司 2022-04-22 — — CN disclosed
CN-110917071-A Core-shell structure flexible bead, preparation method thereof and personal care product comprising core-shell structure flexible bead 上海万华科聚化工科技发展有限公司 2020-03-27 — — CN disclosed
CN-101137715-B Moulding compound comprising polyoxymethylene and zeolite BASF AG 2010-06-16 — — CN disclosed
CN-101137715-A Moulding compound comprising polyoxymethylene and zeolite BASF AG (DE) 2008-03-05 — — CN disclosed
US-20060019194-A1 Thermally sensitive coating compositions useful for lithographic elements CITIPLATE, INC. 2006-01-26 — — US disclosed
US-20030008229-A1 A mixture of(a) a novolak resin, (b) a crosslinking agent for novolak resin comprising a melamine derivative, (c) a thermochemical acid generating compound, (d) a polymeric dissolution inhibitor and an infrared radiation absorber CITIPLATE, INC. 2003-01-09 — — US disclosed
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