SCHEMBL4968598

SCHEMBL4968598

Cc1cc(C)c(N=CCc2cccc(CC=O)n2)c(Cl)c1

nearest known ligand 0.31

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 1/20 0.31
NOS2 P35228 1/20 0.31
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
MPI P34949 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL16653951 0.94 NOS1 (0.35) NOS1NOS2
SCHEMBL14830125 0.92 NOS1 (0.34) NOS1NOS2
SCHEMBL23535362 0.92 NOS1 (0.34) NOS1NOS2
Hydrochloric Acid SCHEMBL3671010 0.91 NOS1 (0.33) NOS1NOS2
SCHEMBL20703459 0.90 NOS1 (0.35) NOS1NOS2
SCHEMBL25439645 0.90 NOS1 (0.33) NOS1NOS2
SCHEMBL4970674 0.86 RAPGEF4 (0.34) NOS1NOS2KDM4EALDH1A1MAPT
SCHEMBL4969625 0.85 MEN1 (0.30) MEN1MAPTKMT2A
SCHEMBL812525 0.84 NOS1 (0.39) NOS1NOS2MEN1ALDH1A1MAPT
SCHEMBL4968681 0.83 MRGPRX4 (0.35) MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1973879-A2 PROCESS FOR PREPARING IMINO COMPOUNDS Basell Polyolefine GmbH (DE) 2008-10-01 EP disclosed
EP-1971577-A2 PROCESS FOR THE PREPARATION OF UNSYMMETRIC BIS(IMINO) COMPOUNDS Basell Polyolefine GmbH (DE) 2008-09-24 EP disclosed
WO-2007080121-A2 PROCESS FOR PREPARING IMINO COMPOUNDS BASELL POLYOLEFINE GMBH (DE) 2007-07-19 WO disclosed
WO-2007080081-A2 PROCESS FOR THE PREPARATION OF UNSYMMETRIC BIS(IMINO) COMPOUNDS BASELL POLYOLEFINE GMBH (DE) 2007-07-19 WO disclosed