SCHEMBL10335113

SCHEMBL10335113

Cn1c(=O)[nH]c(=O)c2c1ncn2CC(O)CO

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.64
▸ LMNA P02545 3/20 0.64
▸ POLB P06746 3/20 0.64
▸ MAPK1 P28482 2/20 0.55
▸ CYP3A4 P08684 1/20 0.55
▸ PMP22 Q01453 1/20 0.55
▸ KDM4E B2RXH2 2/20 0.53
▸ PDE4A P27815 3/20 0.48
▸ ADORA2A P29274 3/20 0.48
▸ PDE4B Q07343 3/20 0.48
▸ PDE4C Q08493 3/20 0.48
▸ PDE4D Q08499 3/20 0.48
▸ MEN1 O00255 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ BRD4 O60885 1/20 0.45
▸ BRD2 P25440 1/20 0.45
▸ BRD3 Q15059 1/20 0.45
▸ BRDT Q58F21 1/20 0.45
▸ RXFP1 Q9HBX9 2/20 0.42

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
Dyphylline SCHEMBL5198235 0.87 LMNA (0.75) SMN1; SMN2LMNAPOLBMAPK1CYP3A4
SCHEMBL17682217 0.84 LMNA (0.54) SMN1; SMN2LMNAPOLBMAPK1CYP3A4
SCHEMBL11406664 0.83 MAPK1 (0.60) SMN1; SMN2LMNAPOLBMAPK1CYP3A4
SCHEMBL16675435 0.83 MAPK1 (0.64) SMN1; SMN2LMNAPOLBMAPK1CYP3A4
SCHEMBL17682216 0.82 SMN1; SMN2 (0.64) SMN1; SMN2LMNAPOLBMAPK1CYP3A4
SCHEMBL16058831 0.80 MAPK1 (0.67) SMN1; SMN2LMNAPOLBMAPK1CYP3A4
SCHEMBL27324978 0.79 LMNA (0.48) SMN1; SMN2LMNAPOLBCYP3A4ADORA2A
SCHEMBL381684 0.79 PDE4A (0.71) SMN1; SMN2LMNAPOLBMAPK1CYP3A4
Dyphylline SCHEMBL123781 0.78 LMNA (1.00) SMN1; SMN2LMNAPOLBKDM4EALDH1A1
Dyphylline SCHEMBL1816552 0.78 LMNA (1.00) SMN1; SMN2LMNAPOLBKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0315401-A2 Xanthine derivatives and their preparation and pharmaceutical formulation CHINOIN Gyogyszer és Vegyészeti Termékek Gyára RT. (HU) 1989-05-10 — — EP claimed
JP-1238583-A — — None — — JP disclosed
US-4960773-A ANTITUSSIVE AGENT CHINOIN GYOGYSZER- ES VEGYESZETI TERMEKEK GYARA RT. (HU) 1990-10-02 — — US disclosed
EP-0268585-B1 TERTIARY HYDROXYALKYLXANTHINES, THEIR MANUFACTURING PROCESS, MEDICINES CONTAINING THEM AND USE THEREOF HOECHST AKTIENGESELLSCHAFT (DE) 1990-05-30 — — EP disclosed
JP-H01238583-A NEW XANTHINE DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME CHINOIN GYOGYSZER V T G RT 1989-09-22 — — JP disclosed
US-4833146-A BRAINS, BLOOD DISORDERS HOECHST AKTIENGESELLSCHAFT (DE) 1989-05-23 — — US disclosed
EP-0315401-A2 Xanthine derivatives and their preparation and pharmaceutical formulation CHINOIN Gyogyszer és Vegyészeti Termékek Gyára RT. (HU) 1989-05-10 — — EP disclosed
EP-0268585-A1 TERTIARY HYDROXYALKYLXANTHINES, THEIR MANUFACTURING PROCESS, MEDICINES CONTAINING THEM AND USE THEREOF. HOECHST AG (DE) 1988-06-01 — — EP disclosed
WO-1987000523-A2 TERTIARY HYDROXYALKYLXANTHINES, THEIR MANUFACTURING PROCESS, MEDICINES CONTAINING THEM AND USE THEREOF HOECHST AKTIENGESELLSCHAFT (DE) 1987-01-29 — — WO disclosed
Send feedback