SCHEMBL8894831

SCHEMBL8894831

Nc1cccc2c1C(=O)c1cc3ccccc3cc1C2=O

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 6/20 0.75
▸ PTPRC P08575 1/20 0.58
▸ MAOA P21397 2/20 0.53
▸ CSNK1A1 P48729 2/20 0.53
▸ CSNK1D P48730 2/20 0.53
▸ CSNK1G1 Q9HCP0 2/20 0.53
▸ FGR P09769 1/20 0.53
▸ PIM1 P11309 1/20 0.53
▸ DYRK1A Q13627 1/20 0.53
▸ HIPK2 Q9H2X6 1/20 0.53
▸ MAOB P27338 1/20 0.50
▸ ALDH1A1 P00352 7/20 0.46
▸ MAPK1 P28482 6/20 0.46
▸ SMN1; SMN2 Q16637 5/20 0.46
▸ TDP1 Q9NUW8 4/20 0.46
▸ RAB9A P51151 4/20 0.46
▸ CYP3A4 P08684 3/20 0.46
▸ TSHR P16473 3/20 0.46
▸ NPC1 O15118 2/20 0.46
▸ TP53 P04637 2/20 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
SCHEMBL26348 0.86 ADORA2A (1.00) ADORA2APTPRCMAOACSNK1A1CSNK1D
Anthraquinone SCHEMBL11781807 0.86 ADORA2A (1.00) ADORA2APTPRCMAOACSNK1A1CSNK1D
SCHEMBL1557667 0.86 ADORA2A (1.00) ADORA2APTPRCMAOACSNK1A1CSNK1D
SCHEMBL29701006 0.86 ADORA2A (1.00) ADORA2APTPRCMAOACSNK1A1CSNK1D
SCHEMBL29918321 0.84 ADORA2A (0.96) ADORA2APTPRCMAOACSNK1A1CSNK1D
Hydrochloric Acid SCHEMBL27499459 0.84 ADORA2A (0.96) ADORA2APTPRCMAOACSNK1A1CSNK1D
SCHEMBL28027296 0.84 ADORA2A (0.96) ADORA2APTPRCMAOACSNK1A1CSNK1D
SCHEMBL22529351 0.84 ADORA2A (0.96) ADORA2APTPRCMAOACSNK1A1CSNK1D
SCHEMBL29944895 0.84 ADORA2A (0.86) ADORA2APTPRCMAOACSNK1A1CSNK1D
SCHEMBL64318 0.84 ADORA2A (0.86) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5594158-A Processes for producing doxorubicin, daunomycinone, and derivatives of doxorubicin THE BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA (US) 1997-01-14 — — US disclosed
US-5391749-A Photoinitiators or photosensitizers CIBA-GEIGY CORPORATION (US) 1995-02-21 — — US disclosed
EP-0344109-B1 Substituted naphthacene-5,12-diones and their use CIBA GEIGY AG (CH) 1994-04-27 — — EP disclosed
US-5200513-A Processes for producing doxorubicin, daunomycinone, and derivatives of doxorubicin BOARD OF REGENTS, UNIVERSITY OF NEBRASKA-LINCOLN (US) 1993-04-06 — — US disclosed
EP-0523289-A1 Processes for producing doxorubicin, daunomycinone, and derivatives of doxorubicin Board of Regents of the University of Nebraska (US) 1993-01-20 — — EP disclosed
US-5112977-A Photoinitiators, metallization of polymeric surfaces CIBA-GEIGY CORPORATION (US) 1992-05-12 — — US disclosed
EP-0344109-A2 Substituted naphthacene-5,12-diones and their use CIBA-GEIGY AG (CH) 1989-11-29 — — EP disclosed
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