SCHEMBL14743299

SCHEMBL14743299

CNc1cc(C(=O)OC)cc2cc(Cl)cc(Cl)c12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
MAPT P10636 4/20 0.41
MEN1 O00255 2/20 0.41
HPGD P15428 2/20 0.41
KMT2A Q03164 2/20 0.41
XBP1 P17861 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ATM Q13315 2/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
ACLY P53396 1/20 0.40
KDM4E B2RXH2 4/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
YTHDC1 Q96MU7 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
SCHEMBL14744278 0.86 ALDH1A1 (0.57) ALDH1A1MAPTMEN1HPGDKMT2A
SCHEMBL14743076 0.82 ALDH1A1 (0.38) ALDH1A1MAPTMEN1HPGDKMT2A
SCHEMBL2635582 0.82 LMNA (0.51) ALDH1A1MAPTMEN1HPGDKMT2A
SCHEMBL14742913 0.81 RAB9A (0.49) ALDH1A1MAPTMEN1HPGDKMT2A
SCHEMBL14743698 0.81 ALDH1A1 (0.44) ALDH1A1MAPTMEN1HPGDKMT2A
SCHEMBL14743694 0.80 HSP90AA1 (0.39) ALDH1A1MAPTMEN1HPGDKMT2A
SCHEMBL14743714 0.79 MAPT (0.56) ALDH1A1MAPTMEN1HPGDKMT2A
SCHEMBL14743107 0.79 LMNA (0.49) ALDH1A1MEN1HPGDKMT2ASMN1; SMN2
SCHEMBL14743980 0.79 NPC1 (0.51) ALDH1A1MAPTMEN1HPGDKMT2A
SCHEMBL14743294 0.78 POLB (0.55) ALDH1A1MAPTMEN1HPGDKMT2A

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