SCHEMBL4968889

SCHEMBL4968889

Cc1cccc(C)c1N=CCc1cccc(CC=Nc2c(C)cc(Br)cc2Br)n1

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 1/20 0.31
MEN1 O00255 1/20 0.30
HSP90AA1 P07900 1/20 0.30
KMT2A Q03164 1/20 0.30
ATM Q13315 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
SCHEMBL4967907 0.87 NOS1 (0.33) MEN1HSP90AA1KMT2AATM
SCHEMBL7053846 0.84 POLB (0.33) MEN1HSP90AA1KMT2AATM
Hydrochloric Acid SCHEMBL16654018 0.81 POLB (0.31) MEN1HSP90AA1KMT2AATM
SCHEMBL812525 0.80 NOS1 (0.39) MEN1HSP90AA1KMT2AATM
SCHEMBL18543986 0.79 BACE1 (0.33) MEN1HSP90AA1KMT2AATM
Hydrochloric Acid SCHEMBL811296 0.77 NOS1 (0.37) MEN1KMT2A
SCHEMBL4968015 0.76 ALDH1A1 (0.33) MEN1HSP90AA1KMT2AATM
SCHEMBL4969524 0.76 BACE1 (0.35)
SCHEMBL23535362 0.76 NOS1 (0.34)
SCHEMBL16653951 0.74 NOS1 (0.35)

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 2 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
WO-2007080121-A2 PROCESS FOR PREPARING IMINO COMPOUNDS BASELL POLYOLEFINE GMBH (DE) 2007-07-19 WO disclosed