SCHEMBL9653108

SCHEMBL9653108

CN(C)C=C1CC(=O)NN1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
CYP2C9 P11712 1/20 0.34
ALOX15 P16050 1/20 0.34
CYP2C19 P33261 1/20 0.34
HTT P42858 1/20 0.34
CREBBP Q92793 1/20 0.34
HSD17B10 Q99714 1/20 0.34
POLB P06746 1/20 0.32
GAA P10253 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL121542 0.64
SCHEMBL9879569 0.64
SCHEMBL13308333 0.61 POLB (0.34) MAPTALOX15HSD17B10POLBGAA
SCHEMBL452524 0.59
SCHEMBL9525791 0.58 POLB (0.35) MAPTPOLBGAAKDM4EMEN1
SCHEMBL28337936 0.57 KDM4E (0.31) KDM4EMEN1KMT2A
SCHEMBL22908386 0.56
SCHEMBL14342886 0.56 MEN1 (0.36) MAPTHTTPOLBGAAKDM4E
SCHEMBL28205887 0.56 MEN1 (0.36) MAPTHTTPOLBGAAKDM4E
SCHEMBL28258268 0.56 MEN1 (0.36) MAPTHTTPOLBGAAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5174808-A HERBICIDAL PYRAZOLIN-5-ONE DERIVATIVES, COMPOSITIONS AND USE BAYER AKTIENGESELLSCHAFT (DE) 1992-12-29 US disclosed