SCHEMBL14743702

SCHEMBL14743702

O=C(O)c1cc(N(C(=O)c2ccccc2)C(=O)c2ccccc2)c2c(Cl)cc(Cl)cc2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TPMT P51580 1/20 0.40
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
CYP1A2 P05177 2/20 0.38
BLM P54132 2/20 0.38
LMNA P02545 1/20 0.38
MAPK1 P28482 1/20 0.38
PMP22 Q01453 1/20 0.38
RXRA P19793 1/20 0.38
RXRB P28702 1/20 0.38
CTRC Q99895 1/20 0.38
TTR P02766 1/20 0.38
SIRT6 Q8N6T7 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
HCAR1 Q9BXC0 1/20 0.36
MRGPRX4 Q96LA9 1/20 0.35
TSHR P16473 2/20 0.35
GRIN1 Q05586 2/20 0.35
DAO P14920 1/20 0.35

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
SCHEMBL14744302 0.86 ACLY (0.46) TPMTMEN1KMT2ACYP1A2BLM
SCHEMBL14743646 0.86 TSHR (0.43) MEN1KMT2ACYP1A2LMNANPC1
SCHEMBL14743558 0.83 ALDH1A1 (0.45) MEN1KMT2ATSHRHPGD
SCHEMBL14743334 0.83 HTT (0.37) MEN1KMT2AMAPK1RXRARXRB
SCHEMBL14743655 0.82 TSHR (0.42) MEN1KMT2AMAPK1NPC1TSHR
SCHEMBL14743619 0.81 ALDH1A1 (0.38) MEN1KMT2ARXRAMRGPRX4SLC6A4
SCHEMBL14743568 0.80 MRGPRX4 (0.36) MEN1KMT2ACYP1A2BLMLMNA
SCHEMBL14743723 0.77 KDM4E (0.47) KMT2A
SCHEMBL14743090 0.77 MEN1 (0.43) MEN1KMT2AMAPK1RAB9AMRGPRX4
SCHEMBL14743302 0.75 NPC1 (0.47) MEN1KMT2ANPC1RAB9ATSHR

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
WO-2013030358-A1 GLYCINE B ANTAGONISTS MERZ PHARMA GMBH & CO. KGAA (DE) 2013-03-07 WO claimed
WO-2013030358-A1 GLYCINE B ANTAGONISTS MERZ PHARMA GMBH & CO. KGAA (DE) 2013-03-07 WO disclosed