SCHEMBL4391637

SCHEMBL4391637

CCOc1ccc(Br)cc1C=CC(=O)N1CCN(c2ccncc2)CC1.COc1cc(C=CC(=O)N2CCN(c3ccncc3)CC2)ccc1OCc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
APP P05067 12/20 0.60
KDM4E B2RXH2 2/20 0.59
MEN1 O00255 1/20 0.59
HPGD P15428 1/20 0.59
KMT2A Q03164 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
ACHE P22303 1/20 0.51
LMNA P02545 1/20 0.48

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
SCHEMBL14190919 0.89 APP (0.74) APPKDM4EMEN1HPGDKMT2A
SCHEMBL4376030 0.89 APP (0.74) APPKDM4EMEN1HPGDKMT2A
SCHEMBL4380528 0.85 ALDH1A1 (0.48) KDM4EHPGDKMT2ASMN1; SMN2ACHE
SCHEMBL13636356 0.85 ALDH1A1 (0.48) KDM4EHPGDKMT2ASMN1; SMN2ACHE
SCHEMBL14218033 0.77 APP (0.81) APPKDM4EMEN1HPGDKMT2A
SCHEMBL4391635 0.76 NPC1 (0.43) APPKDM4EMEN1HPGDKMT2A
SCHEMBL28924931 0.75 APP (0.84) APPKDM4EMEN1HPGDKMT2A
SCHEMBL13039668 0.74 L3MBTL1 (0.61) KDM4EMEN1KMT2ASMN1; SMN2ACHE
SCHEMBL14190950 0.73 APP (0.77) APPKDM4EMEN1HPGDKMT2A
SCHEMBL4382277 0.73 APP (0.77) APPKDM4EMEN1HPGDKMT2A

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
EP-1421071-B1 SUBSTITUTED PIPERAZINE AND DIAZEPANE DERIVAIVES AS HISTAMINE H3 RECEPTOR MODULATORS HIGH POINT PHARMACEUTICALS LLC (US) 2009-11-18 EP claimed