SCHEMBL8102867

SCHEMBL8102867

CCCCC#Cc1nc(N)c2ncn([C@@H]3O[C@H](C(=O)NCC)[C@@H](O)[C@H]3O)c2n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 5/20 1.00
ADORA2B P29275 4/20 1.00
ALDH1A1 P00352 1/20 1.00
GLA P06280 1/20 1.00
PMP22 Q01453 1/20 1.00
SMN1; SMN2 Q16637 1/20 1.00
CYP3A4 P08684 1/20 1.00
CYP2C9 P11712 1/20 1.00
TSHR P16473 1/20 1.00
NFKB1 P19838 1/20 1.00
MAPK1 P28482 1/20 1.00
CYP2C19 P33261 1/20 1.00
HIF1A Q16665 1/20 1.00
ADORA3 P0DMS8 1/20 0.80
ADORA1 P30542 1/20 0.80

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
SCHEMBL29524075 1.00 ADORA2A (1.00) ADORA2AADORA2BALDH1A1GLAPMP22
SCHEMBL12119014 0.95 ADORA2A (1.00) ADORA2AADORA2BALDH1A1GLAPMP22
SCHEMBL8102694 0.91 ADORA2A (0.84) ADORA2AADORA2BALDH1A1GLAPMP22
SCHEMBL19464955 0.89 ADORA2A (0.88) ADORA2AADORA2BALDH1A1GLAPMP22
SCHEMBL19464956 0.89 ADORA2A (0.88) ADORA2AADORA2BALDH1A1GLAPMP22
SCHEMBL22933139 0.89 ADORA2A (0.88) ADORA2AADORA2BALDH1A1GLAPMP22
SCHEMBL19464954 0.89 ADORA2A (0.88) ADORA2AADORA2BALDH1A1GLAPMP22
SCHEMBL19807547 0.89 ADORA2A (0.88) ADORA2AADORA2BALDH1A1GLAPMP22
SCHEMBL12935985 0.86 ADORA2A (0.77) ADORA2AADORA2BALDH1A1GLAPMP22
SCHEMBL14377005 0.85 ADORA2A (0.77) ADORA2AADORA2BALDH1A1GLAPMP22

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0983768-A1 MEDICINAL COMPOSITION FOR PREVENTION OR TREATMENT OF HEPATOPATHY Nippon Shinyaku Co., Ltd. (JP) 2000-03-08 EP claimed
EP-3039126-B1 SMALL MOLECULE CELLULAR REPROGRAMMING TO GENERATE NEURONAL CELLS THE J DAVID GLADSTONE INST A TESTAMENTARY TRUST ESTABLISHED UNDER THE WILL OF J DAVID GLADSTONE (US) 2019-10-09 EP disclosed
US-20160250260-A1 SMALL MOLECULE CELLULAR REPROGRAMMING TO GENERATE NEURONAL CELLS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-09-01 US disclosed
EP-3039126-A2 SMALL MOLECULE CELLULAR REPROGRAMMING TO GENERATE NEURONAL CELLS The J. David Gladstone Institutes, A Testamentary Trust Established under The Will of J. David Gladstone (US) 2016-07-06 EP disclosed
WO-2015041809-A2 SMALL MOLECULE CELLULAR REPROGRAMMING TO GENERATE NEURONAL CELLS THE J. DAVID GLADSTONE INSTITUTES, A TESTAMENTARY TRUST ESTABLISHED UNDER THE WILL OF J. DAVID GLADSTONE (US) 2015-03-26 WO disclosed
EP-0983768-A1 MEDICINAL COMPOSITION FOR PREVENTION OR TREATMENT OF HEPATOPATHY Nippon Shinyaku Co., Ltd. (JP) 2000-03-08 EP disclosed