SCHEMBL8327679

SCHEMBL8327679

COc1ccc(CN2CCCC(CN3C(=O)c4ccccc4C3=O)C2)cc1OC

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.53
POLB P06746 1/20 0.53
GAA P10253 1/20 0.53
MAOA P21397 1/20 0.52
MAOB P27338 1/20 0.52
LMNA P02545 2/20 0.52
UTS2R Q9UKP6 1/20 0.50
KDM4E B2RXH2 3/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
SMN1; SMN2 Q16637 1/20 0.47
ATM Q13315 1/20 0.47

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
SCHEMBL8323805 0.81 KMT2A (0.51) POLBMAOBKDM4EKMT2A
SCHEMBL8330129 0.81 CYP2D6 (0.49) GAA
Hydrochloric Acid SCHEMBL9211501 0.79 ALDH1A1 (0.49) ALDH1A1POLBGAAMAOAMAOB
SCHEMBL8323528 0.79 ALDH1A1 (0.59) ALDH1A1POLBGAAMAOAMAOB
SCHEMBL8326524 0.79 ALDH1A1 (0.59) ALDH1A1POLBGAAMAOAMAOB
SCHEMBL8329181 0.79 MAPT (0.67) ALDH1A1POLBGAAMAOAMAOB
SCHEMBL4854039 0.77 NR1H3 (0.62) ALDH1A1LMNAUTS2RKMT2A
SCHEMBL9208530 0.74 BCHE (0.50) MAOBKDM4E
SCHEMBL21926319 0.72 LMNA (0.69) ALDH1A1LMNAKDM4EMEN1KMT2A
SCHEMBL1474833 0.72 UTS2R (0.74) ALDH1A1LMNAUTS2RKDM4EKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0760368-B1 PYRIMIDINE DERIVATIVES NISSHIN FLOUR MILLING CO (JP) 1999-07-28 EP disclosed
US-5736550-A TREATMENT OF GASTROINTESTINAL TRACT DISORDERS NISSHIN FLOUR MILLING CO., LTD. (JP) 1998-04-07 US disclosed
EP-0760368-A1 NOVEL PYRIMIDINE DERIVATIVE NISSHIN FLOUR MILLING CO., LTD. (JP) 1997-03-05 EP disclosed