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SCHEMBL4967907

SCHEMBL4967907

Cc1cc(C)c(N=CCc2cccc(CC=Nc3c(C)cccc3Br)n2)c(C)c1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ NOS1 P29475 1/20 0.33
▸ NOS2 P35228 1/20 0.33
▸ 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
SCHEMBL812525 0.89 NOS1 (0.39) NOS1NOS2MEN1HSP90AA1KMT2A
SCHEMBL4968889 0.87 NQO2 (0.31) MEN1HSP90AA1KMT2AATM
Hydrochloric Acid SCHEMBL811296 0.86 NOS1 (0.37) NOS1NOS2MEN1KMT2A
SCHEMBL7053846 0.84 POLB (0.33) NOS1NOS2MEN1HSP90AA1KMT2A
Hydrochloric Acid SCHEMBL16654018 0.81 POLB (0.31) NOS1NOS2MEN1HSP90AA1KMT2A
SCHEMBL23535362 0.81 NOS1 (0.34) NOS1NOS2
SCHEMBL16653951 0.80 NOS1 (0.35) NOS1NOS2
SCHEMBL18543986 0.79 BACE1 (0.33) MEN1HSP90AA1KMT2AATM
SCHEMBL14830125 0.78 NOS1 (0.34) NOS1NOS2
SCHEMBL4970674 0.78 RAPGEF4 (0.34) NOS1NOS2

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