SCHEMBL14743407

SCHEMBL14743407

CN(C(=O)Nc1ccccc1)c1cc(C(=O)O)cc2cc(Cl)cc(Cl)c12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
KDM4E B2RXH2 2/20 0.48
GLA P06280 1/20 0.48
GAA P10253 1/20 0.48
HPGD P15428 1/20 0.48
F12 P00748 1/20 0.40
RAB9A P51151 3/20 0.40
MAPT P10636 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
GPR17 Q13304 1/20 0.39
NPC1 O15118 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
ALOX15 P16050 1/20 0.39
HSD17B10 Q99714 1/20 0.39
LIPG Q9Y5X9 1/20 0.39
EGFR P00533 2/20 0.39
ERBB2 P04626 2/20 0.39
TSHR P16473 1/20 0.38

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
SCHEMBL14743613 0.90 SENP1 (0.44) ALDH1A1KDM4EGLAGAAHPGD
SCHEMBL14744302 0.83 ACLY (0.46) ALDH1A1HPGDRAB9AMAPTMEN1
SCHEMBL14743833 0.79 MAPT (0.38) ALDH1A1HPGDRAB9AMAPTKMT2A
SCHEMBL14743489 0.77 GAA (0.41) GAARAB9AKMT2ANPC1HSD17B10
SCHEMBL14743723 0.76 KDM4E (0.47) KDM4EKMT2A
SCHEMBL14743695 0.75 RAB9A (0.54) KDM4EGAARAB9AMAPTMEN1
SCHEMBL14743459 0.75 ACLY (0.36) ALDH1A1HPGDRAB9AMAPTNPC1
SCHEMBL14743702 0.75 TPMT (0.40) HPGDRAB9AMEN1KMT2ANPC1
SCHEMBL14743979 0.74 TSHR (0.42) ALDH1A1HPGDRAB9AMAPTMEN1
SCHEMBL14743805 0.74 GPBAR1 (0.43) ALDH1A1KDM4EGAARAB9ANPC1

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