SCHEMBL4970674

SCHEMBL4970674

Cc1cc(C)c(N=CCc2cccc(CC=Nc3c(C)cc(Cl)cc3Cl)n2)c(C)c1

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAPGEF4 Q8WZA2 1/20 0.34
NOS1 P29475 1/20 0.32
NOS2 P35228 1/20 0.32
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
HTT P42858 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
CRHR1 P34998 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL4968015 0.94 ALDH1A1 (0.33) KDM4ELMNAMAPTHPGDHTT
SCHEMBL23535362 0.93 NOS1 (0.34) RAPGEF4NOS1NOS2
Hydrochloric Acid SCHEMBL39584 0.92 KDM4E (0.35) KDM4ELMNAMAPTHPGDHTT
SCHEMBL16653951 0.92 NOS1 (0.35) RAPGEF4NOS1NOS2
SCHEMBL14830125 0.91 NOS1 (0.34) RAPGEF4NOS1NOS2
Hydrochloric Acid SCHEMBL3671010 0.90 NOS1 (0.33) RAPGEF4NOS1NOS2
SCHEMBL20703459 0.88 NOS1 (0.35) NOS1NOS2
SCHEMBL25439645 0.88 NOS1 (0.33) NOS1NOS2
SCHEMBL812525 0.88 NOS1 (0.39) NOS1NOS2MAPTHTTNPSR1
SCHEMBL4968598 0.86 NOS1 (0.31) NOS1NOS2KDM4EMAPTALDH1A1

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