SCHEMBL14743993

SCHEMBL14743993

COC(=O)c1cc(NC(=O)c2cccnc2)c2c(Cl)cc(Cl)cc2c1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.56
ALDH1A1 P00352 5/20 0.55
KDM4E B2RXH2 2/20 0.55
LMNA P02545 1/20 0.53
KCNMA1 Q12791 1/20 0.52
HPGD P15428 1/20 0.52
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
USP2 O75604 1/20 0.50
MAPT P10636 1/20 0.50
TSHR P16473 2/20 0.49
POLB P06746 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 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
SCHEMBL14743685 0.88 KCNMA1 (0.55) MAPK1ALDH1A1KDM4ELMNAKCNMA1
SCHEMBL14743107 0.88 LMNA (0.49) MAPK1ALDH1A1KDM4ELMNAKCNMA1
SCHEMBL14742913 0.86 RAB9A (0.49) MAPK1ALDH1A1KDM4EKCNMA1HPGD
SCHEMBL14743578 0.83 RORC (0.44) ALDH1A1KDM4EMEN1KMT2APOLB
SCHEMBL14744025 0.80 NOTUM (0.51) ALDH1A1KDM4ELMNAHPGDMEN1
SCHEMBL14744022 0.80 MAPT (0.39) ALDH1A1LMNAHPGDMEN1KMT2A
SCHEMBL14743289 0.79 ALDH1A1 (0.49) MAPK1ALDH1A1L3MBTL1NPC1RAB9A
SCHEMBL14743986 0.79 L3MBTL1 (0.42) ALDH1A1KDM4ELMNAHPGDMEN1
SCHEMBL14744278 0.79 ALDH1A1 (0.57) ALDH1A1KDM4EHPGDMEN1KMT2A
SCHEMBL14743640 0.78 KDM4E (0.43) ALDH1A1KDM4ELMNAHPGDMEN1

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