SCHEMBL9682194

SCHEMBL9682194

CC(O)CCCCn1cnc2c1c(=O)[nH]c(=O)n2C

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 4/20 0.60
LMNA P02545 3/20 0.60
KDM4E B2RXH2 1/20 0.60
POLB P06746 1/20 0.60
SMN1; SMN2 Q16637 2/20 0.55
MEN1 O00255 1/20 0.53
ALDH1A1 P00352 1/20 0.53
KMT2A Q03164 1/20 0.53
CYP3A4 P08684 1/20 0.52
PMP22 Q01453 1/20 0.52
PDE4A P27815 3/20 0.52
ADORA2A P29274 3/20 0.52
PDE4B Q07343 3/20 0.52
PDE4C Q08493 3/20 0.52
PDE4D Q08499 3/20 0.52
BRD4 O60885 1/20 0.46
BRD2 P25440 1/20 0.46
BRD3 Q15059 1/20 0.46
BRDT Q58F21 1/20 0.46
ADORA2B P29275 2/20 0.43

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
SCHEMBL10860941 0.83 MAPK1 (0.64) MAPK1LMNAKDM4EPOLBSMN1; SMN2
SCHEMBL10856071 0.83 MAPK1 (0.64) MAPK1LMNAKDM4EPOLBSMN1; SMN2
SCHEMBL25286006 0.83 ALDH1A1 (0.71) MAPK1LMNAKDM4EPOLBSMN1; SMN2
SCHEMBL7455166 0.83 SMN1; SMN2 (0.61) MAPK1LMNAKDM4EPOLBSMN1; SMN2
SCHEMBL16058831 0.83 MAPK1 (0.67) MAPK1LMNAKDM4EPOLBSMN1; SMN2
SCHEMBL10394932 0.82 MEN1 (0.69) MAPK1LMNAKDM4EPOLBSMN1; SMN2
SCHEMBL2793548 0.82 MAPK1 (0.65) MAPK1LMNAKDM4EPOLBSMN1; SMN2
SCHEMBL11400162 0.82 MEN1 (0.69) MAPK1LMNAKDM4EPOLBSMN1; SMN2
SCHEMBL4566277 0.81 MEN1 (0.77) MAPK1LMNAKDM4EPOLBSMN1; SMN2
SCHEMBL9123054 0.81 MAPK1 (0.65) MAPK1LMNAKDM4EPOLBSMN1; SMN2

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-5082845-A Gastrointestinal HOECHST JAPAN LIMITED (JP) 1992-01-21 US disclosed
EP-0330031-B1 THERAPEUTIC AGENTS FOR THE TREATMENT OF PEPTIC ULCER DISEASE HOECHST JAPAN LIMITED (JP) 1991-12-11 EP disclosed
CN-1014024-B PROCESS FOR PREPARING PHARMACEUTICALS-FORMULATION HOECHST AG (DE) 1991-09-25 CN disclosed
EP-0330031-A1 Therapeutic agents for the treatment of peptic ulcer disease HOECHST JAPAN LIMITED (JP) 1989-08-30 EP disclosed
CN-85106465-A A kind of preparation process of pharmaceutical preparation 1986-10-29 CN disclosed
US-4576947-A HYDROXYALKYLXANTHINES, INCREASING CEREBRAL BLOOD FLOW, BRONCHODILATORS HOECHST AKTIENGESELLSCHAFT (DE) 1986-03-18 US disclosed
US-4515795-A INSUFFICIENCY OF CEREBRAL BLOOD FLOW HOECHST AKTIENGESELLSCHAFT (DE) 1985-05-07 US disclosed