SCHEMBL8325191

SCHEMBL8325191

COc1ccc(CN2CCCC(CN)C2)cc1

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
POLB P06746 1/20 0.56
KDM4E B2RXH2 1/20 0.55
HRH2 P25021 1/20 0.53
PTGIR P43119 1/20 0.52
MAPT P10636 1/20 0.51
SIGMAR1 Q99720 1/20 0.50

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
SCHEMBL3692233 0.87 MEN1 (0.61) MEN1KMT2APOLBKDM4EHRH2
SCHEMBL14198699 0.86 MAPT (0.67) MEN1KMT2APOLBKDM4EHRH2
SCHEMBL3705572 0.85 MEN1 (0.59) MEN1KMT2APOLBKDM4EHRH2
SCHEMBL3696610 0.83 MEN1 (0.57) MEN1KMT2APOLBKDM4EHRH2
SCHEMBL8326524 0.83 ALDH1A1 (0.59) MEN1KMT2APOLBKDM4EMAPT
SCHEMBL4854395 0.82 GAA (0.59) MEN1KMT2AKDM4ESIGMAR1
SCHEMBL8326661 0.82 KMT2A (0.57) MEN1KMT2APOLBKDM4E
SCHEMBL8232974 0.81 HRH4 (0.60) KMT2AKDM4EHRH2PTGIRSIGMAR1
SCHEMBL8325440 0.81 MAOB (0.51) MEN1KMT2APOLB
SCHEMBL992110 0.81 CYP2D6 (0.62) KDM4E

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