SCHEMBL10663201

SCHEMBL10663201

[O-][S+]1CCN(c2nc(Cl)nc3c(OCCO)ncnc23)CC1

nearest known ligand 0.39

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SLC29A1 Q99808 1/20 0.39
EDNRB P24530 1/20 0.31
EDNRA P25101 1/20 0.31

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
SCHEMBL10970639 0.89 KDM4E (0.32)
SCHEMBL10968773 0.86 ALDH1A1 (0.32)
SCHEMBL11021756 0.85
SCHEMBL10661858 0.85 SMN1; SMN2 (0.34)
SCHEMBL11044198 0.85 HRH4 (0.43)
SCHEMBL11046905 0.84 HRH4 (0.41)
SCHEMBL11045317 0.84 CNR2 (0.31)
SCHEMBL10665710 0.83 HTT (0.39)
SCHEMBL10661971 0.83 SLC29A1 (0.41) SLC29A1
SCHEMBL10970652 0.83 HRH4 (0.44)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4728646-A ANTITHROMBOTICS DR. KARL THOMAE GMBH (DE) 1988-03-01 US disclosed
US-4690923-A ANTITHROMBOTICS KARL THOMAE GMBH (DE) 1987-09-01 US disclosed
US-4518596-A Antithrombotic use of 2-(perhydro-1,4-diazino)-pyrimido (5,4,D)-pyrimidines DR. KARL THOMAE GMBH (DE) 1985-05-21 US disclosed
EP-0023559-B1 2-(PERHYDRO-1,4-DIAZINO)-PYRIMIDO(5,4-D)PYRIMIDINES, THEIR PREPARATION AND MEDICAMENTS CONTAINING THEM Dr. Karl Thomae GmbH (DE) 1984-09-19 EP disclosed
EP-0023559-A1 2-(Perhydro-1,4-diazino)-pyrimido(5,4-d)pyrimidines, their preparation and medicaments containing them Dr. Karl Thomae GmbH (DE) 1981-02-11 EP disclosed