SCHEMBL10973350

SCHEMBL10973350

c1ccc2c(-c3cc(-c4ccc(N5CCOCC5)cc4)nc(-c4ccc(N5CCOCC5)cc4)c3)c[nH]c2c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDGFRB P09619 1/20 0.65
▸ ALOX5 P09917 1/20 0.62
▸ MAPT P10636 5/20 0.57
▸ KDM4E B2RXH2 4/20 0.57
▸ ALDH1A1 P00352 3/20 0.57
▸ L3MBTL1 Q9Y468 2/20 0.57
▸ HPGD P15428 1/20 0.57
▸ MAPK1 P28482 1/20 0.57
▸ TDP1 Q9NUW8 1/20 0.57
▸ AHR P35869 1/20 0.54
▸ NPC1 O15118 2/20 0.53
▸ GAA P10253 2/20 0.53
▸ RAB9A P51151 2/20 0.53
▸ HCRTR1 O43613 1/20 0.53
▸ LMNA P02545 1/20 0.53
▸ TDO2 P48775 4/20 0.50
▸ JAK1 P23458 1/20 0.50
▸ JAK3 P52333 1/20 0.50
▸ THRB P10828 1/20 0.49
▸ PIM1 P11309 1/20 0.48

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
SCHEMBL10981154 0.90 ALOX5 (0.64) PDGFRBALOX5MAPTKDM4EALDH1A1
SCHEMBL4508230 0.79 PDGFRB (0.54) PDGFRBALOX5MAPTKDM4EALDH1A1
SCHEMBL18285499 0.74 KDM4E (0.97) MAPTKDM4EALDH1A1L3MBTL1HPGD
SCHEMBL11078606 0.74 ALOX5 (0.69) PDGFRBALOX5MAPTKDM4EHPGD
SCHEMBL14877399 0.73 PDGFRB (0.56) PDGFRBMAPTKDM4EALDH1A1L3MBTL1
SCHEMBL3052850 0.73 FLT3 (0.73) PDGFRB
SCHEMBL14877401 0.73 PDGFRB (0.57) PDGFRBMAPTKDM4EALDH1A1HPGD
SCHEMBL26912673 0.72 MAPT (0.59) PDGFRBMAPTKDM4EALDH1A1L3MBTL1
SCHEMBL26911783 0.72 HTR1A (0.60) PDGFRBMAPTKDM4EALDH1A1L3MBTL1
SCHEMBL13458828 0.71 KDM4E (0.74) MAPTKDM4EALDH1A1L3MBTL1HPGD

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-0061128-B1 PYRIDINE COMPOUNDS, PROCESS FOR THEIR PREPARATION AND SYSTEMS CONTAINING THEM STERLING DRUG INC. (US) 1985-09-04 — — EP disclosed
US-4446321-A COLOR FORMERS, CARBON-FREE DUPLICATION STERLING DRUG INC. (US) 1984-05-01 — — US disclosed
US-4363503-A FOR PRESSURE SENSITIVE CARBONLESS DUPLICATING AND THERMAL MARKING SYSTEMS STERLING DRUG INC. (US) 1982-12-14 — — US disclosed
EP-0061128-A1 Pyridine compounds, process for their preparation and systems containing them STERLING DRUG INC. (US) 1982-09-29 — — EP disclosed
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