SCHEMBL4714296

SCHEMBL4714296

COc1ccccc1CN1Cc2ccccc2N=C1N1CCN(Cc2ccccc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
POLB P06746 1/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.46
ALOX15 P16050 1/20 0.45
CLPP Q16740 1/20 0.44
MAPK1 P28482 1/20 0.43
DRD4 P21917 1/20 0.43
SIGMAR1 Q99720 2/20 0.42
ACHE P22303 1/20 0.42
BACE1 P56817 1/20 0.42
KCNH2 Q12809 1/20 0.42

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 SCHEMBL3221286 0.93 KDM4E (0.48) KDM4EMEN1KMT2APOLBALDH1A1
Fumaric Acid SCHEMBL3221298 0.93 KDM4E (0.48) KDM4EMEN1KMT2APOLBALDH1A1
SCHEMBL4717253 0.88 HTR6 (0.44) DRD4SIGMAR1KCNH2
SCHEMBL3220411 0.84 GNAI3 (0.47) KDM4EALDH1A1LMNASIGMAR1ACHE
Fumaric Acid SCHEMBL3220938 0.82 HTR1A (0.42) KDM4EMEN1KMT2AALDH1A1ALOX15
Fumaric Acid SCHEMBL3220918 0.82 HTR1A (0.42) KDM4EMEN1KMT2AALDH1A1ALOX15
SCHEMBL4718142 0.79 MEN1 (0.59) MEN1KMT2APOLBSIGMAR1ACHE
SCHEMBL15914294 0.78 MEN1 (0.39) KDM4EMEN1KMT2AALDH1A1ALOX15
SCHEMBL4715042 0.78 GRIN2B (0.42) KDM4EMEN1KMT2APOLBALDH1A1
SCHEMBL3207059 0.77 KMT2A (0.38) KDM4EMEN1KMT2APOLBALDH1A1

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