SCHEMBL5585492

SCHEMBL5585492

Cc1cccc2c1C(=O)c1cccc(N)c1C2=O

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 5/20 0.70
▸ PTPRC P08575 1/20 0.59
▸ DPP4 P27487 1/20 0.56
▸ MAOA P21397 3/20 0.54
▸ CSNK1A1 P48729 2/20 0.54
▸ CSNK1D P48730 2/20 0.54
▸ CSNK1G1 Q9HCP0 2/20 0.54
▸ FGR P09769 1/20 0.54
▸ PIM1 P11309 1/20 0.54
▸ DYRK1A Q13627 1/20 0.54
▸ HIPK2 Q9H2X6 1/20 0.54
▸ ALDH1A1 P00352 3/20 0.52
▸ SMN1; SMN2 Q16637 3/20 0.52
▸ MAPK1 P28482 2/20 0.52
▸ RAB9A P51151 2/20 0.52
▸ L3MBTL1 Q9Y468 2/20 0.52
▸ CYP3A4 P08684 2/20 0.52
▸ NPC1 O15118 1/20 0.52
▸ TSHR P16473 1/20 0.52
▸ CASP3 P42574 1/20 0.52

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
SCHEMBL7539850 0.94 ADORA2A (0.68) ADORA2APTPRCDPP4MAOACSNK1A1
SCHEMBL64318 0.89 ADORA2A (0.86) ADORA2APTPRCDPP4MAOACSNK1A1
SCHEMBL29944895 0.89 ADORA2A (0.86) ADORA2APTPRCDPP4MAOACSNK1A1
SCHEMBL1688847 0.89 ALDH1A1 (0.55) ADORA2APTPRCDPP4MAOACSNK1A1
Hydrochloric Acid SCHEMBL8643197 0.87 ADORA2A (0.83) ADORA2APTPRCDPP4MAOACSNK1A1
SCHEMBL9817620 0.86 ADORA2A (0.69) ADORA2APTPRCDPP4MAOACSNK1A1
SCHEMBL4301638 0.83 ADORA2A (0.64) ADORA2APTPRCDPP4MAOACSNK1A1
SCHEMBL26348 0.83 ADORA2A (1.00) ADORA2APTPRCMAOACSNK1A1CSNK1D
SCHEMBL29701006 0.83 ADORA2A (1.00) ADORA2APTPRCMAOACSNK1A1CSNK1D
SCHEMBL30580334 0.83 ALDH1A1 (0.66) ADORA2APTPRCMAOACSNK1A1CSNK1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4276130-A1 PROCESS FOR PREPARING POLY(ALKYLENE FURANDICARBOXYLATE) Covation Inc. (US) 2023-11-15 — — EP disclosed
WO-2019033829-A1 4β-AMINO SUBSTITUTED PODOPHYLLOTOXIN DERIVATIVE AND PREPARATION METHOD THEREFOR AND USE THEREOF 汤亚杰 2019-02-21 — — WO disclosed
US-20130037487-A1 POLY (SULFOAMINOANTHRAQUINONE) MATERIALS AND METHODS FOR THEIR PREPARATION AND USE TONGJI UNIVERSITY (CN) 2013-02-14 — — US disclosed
US-8173842-B2 Multifunctional linker molecules for tuning electronic charge transport through organic-inorganic composite structures and uses thereof SONY DEUTSCHLAND GMBH (DE) 2012-05-08 — — US disclosed
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