SCHEMBL4718142

SCHEMBL4718142

COc1ccccc1CN1Cc2ccccc2N=C1NC1CCN(Cc2ccccc2)CC1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
POLB P06746 1/20 0.59
SIGMAR1 Q99720 3/20 0.52
ACHE P22303 5/20 0.50
BACE1 P56817 4/20 0.50
BCHE P06276 3/20 0.50
EZH2 Q15910 2/20 0.47
CXCR4 P61073 1/20 0.47
NSD2 O96028 5/20 0.46
EHMT2 Q96KQ7 3/20 0.45
KDM1A O60341 1/20 0.45
RCOR1 Q9UKL0 1/20 0.45
NSD3 Q9BZ95 1/20 0.44
EHMT1 Q9H9B1 1/20 0.44

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
Fumaric Acid SCHEMBL3218662 0.93 SIGMAR1 (0.53) MEN1KMT2APOLBSIGMAR1ACHE
Fumaric Acid SCHEMBL3218644 0.93 SIGMAR1 (0.53) MEN1KMT2APOLBSIGMAR1ACHE
SCHEMBL4761749 0.84 ALDH1A1 (0.40) MEN1KMT2APOLB
Acetic Acid SCHEMBL3221646 0.81 ALDH1A1 (0.42) MEN1KMT2ASIGMAR1
SCHEMBL4714296 0.79 KDM4E (0.47) MEN1KMT2APOLBSIGMAR1ACHE
Hydrochloric Acid SCHEMBL3211777 0.77 LMNA (0.42) MEN1KMT2APOLBSIGMAR1CXCR4
SCHEMBL3214830 0.77 GRIN2B (0.40) MEN1KMT2A
SCHEMBL4715098 0.76 HPGD (0.42) MEN1KMT2A
Hydrochloric Acid SCHEMBL3209458 0.75 HPGD (0.41) MEN1KMT2A
SCHEMBL4761613 0.74 GRIN2B (0.38) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1917245-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS BINDING PARTNERS FOR 5-HT5 RECEPTORS Abbott GmbH & Co. KG (DE) 2008-05-07 EP disclosed
WO-2007022946-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS BINDING PARTNERS FOR 5-HT5 RECEPTORS ABBOTT GMBH & CO. KG (DE) 2007-03-01 WO disclosed