SCHEMBL21803243

SCHEMBL21803243

CC1Sc2ccccc2N1Cc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 4/20 0.44
▸ PPARG P37231 1/20 0.43
▸ EHMT2 Q96KQ7 1/20 0.43
▸ BRD4 O60885 2/20 0.42
▸ LMNA P02545 1/20 0.41
▸ ALOX12 P18054 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ ACHE P22303 1/20 0.39
▸ TP53 P04637 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ SMO Q99835 1/20 0.36
▸ KDM1A O60341 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
Iodide SCHEMBL28993212 0.98 GSK3B (0.43) GSK3BPPARGEHMT2BRD4LMNA
SCHEMBL29107250 0.89 PPARG (0.41) PPARGTP53SMO
SCHEMBL29107251 0.87 PPARG (0.40) GSK3BPPARGEHMT2BRD4LMNA
SCHEMBL29107246 0.87 SMN1; SMN2 (0.48) PPARGMAPK1TP53SMN1; SMN2
SCHEMBL29107254 0.85 DRD2 (0.41) GSK3BPPARGLMNATP53SMN1; SMN2
SCHEMBL29107247 0.84 CHRM5 (0.43) GSK3BPPARGACHETP53
SCHEMBL16709169 0.82 MAOA (0.38) GSK3BPPARGSMN1; SMN2KDM1A
SCHEMBL16709179 0.82 MAOA (0.42) GSK3BLMNATP53SMN1; SMN2KDM1A
SCHEMBL29107249 0.81 GSK3B (0.40) GSK3BMAPK1TP53SMN1; SMN2NPC1
SCHEMBL30702419 0.80 SMN1; SMN2 (0.38) GSK3BPPARGSMN1; SMN2KDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114874638-B Meso-position substituted pentamethine cyanine dye, preparation method and application thereof, and fluorescent probe 西安建筑科技大学 2024-01-19 — — CN claimed
CN-118184558-A Thiophenylamide compound, and preparation method and application thereof 五邑大学 2024-06-14 — — CN disclosed
CN-117069742-A Spiro [ pyridine-thiazolidine ] compound and preparation method and application thereof 五邑大学 2023-11-17 — — CN disclosed
US-10968386-B2 Pentamethine cyanine dye and preparation method therefor SHENZHEN UNIVERSITY (CN) 2021-04-06 — — US disclosed
US-20200095499-A1 PENTAMETHINE CYANINE DYE AND PREPARATION METHOD THEREFOR SHENZHEN UNIVERSITY (CN) 2020-03-26 — — US disclosed
CN-102627869-B Preparation method of near-infrared heptamethine cyanine dye and use of the near-infrared heptamethine cyanine dye in weak polarity-polarity mixed solvent fluorescence spectrum test JIANGNAN UNIVERSITY (CN) 2014-10-22 — — CN disclosed
CN-102627869-A Preparation method of near-infrared heptamethine cyanine dye and use of the near-infrared heptamethine cyanine dye in weak polarity-polarity mixed solvent fluorescence spectrum test UNIV JIANGNAN 2012-08-08 — — CN disclosed
CN-101256360-B Radiosensitive resin composition, laminated insulation film and micro lens, preparation method thereof JSR CORP 2012-06-20 — — CN disclosed
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