SCHEMBL14743443

SCHEMBL14743443

O=C(Cc1ccccn1)Nc1cc(C(=O)O)cc2cc(Cl)cc(Cl)c12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHUK O15111 1/20 0.48
ICOSLG O75144 1/20 0.48
ICOS Q9Y6W8 1/20 0.48
NPY2R P49146 1/20 0.45
RAB9A P51151 4/20 0.44
KMT2A Q03164 4/20 0.44
NPC1 O15118 3/20 0.44
MEN1 O00255 1/20 0.41
HPGD P15428 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA5A P35218 1/20 0.41
CA7 P43166 1/20 0.41
CA5B Q9Y2D0 1/20 0.41
GLS O94925 2/20 0.39
POLB P06746 1/20 0.39
ALDH1A1 P00352 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PTGER1 P34995 2/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL14743545 0.89 CHUK (0.46) CHUKICOSLGICOSNPY2RRAB9A
SCHEMBL14743310 0.84 MEN1 (0.52) RAB9AKMT2ANPC1MEN1HPGD
SCHEMBL14744028 0.83 GRM4 (0.53)
SCHEMBL14743483 0.83 POLB (0.37) RAB9ANPC1POLBALDH1A1SMN1; SMN2
SCHEMBL14743690 0.82 KDM4C (0.47) RAB9AKMT2ANPC1MEN1CA1
SCHEMBL14743792 0.81 KMT2A (0.48) RAB9AKMT2ANPC1MEN1HPGD
SCHEMBL14742999 0.80 KDM4C (0.45) KMT2AMEN1GLSPOLBHTT
SCHEMBL14743835 0.79 MEN1 (0.43) KMT2ANPC1MEN1HPGDPOLB
SCHEMBL14743367 0.77 GAA (0.55) RAB9AKMT2ANPC1MEN1HPGD
SCHEMBL14743648 0.77 PYGL (0.52) RAB9AKMT2ANPC1MEN1HPGD

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