SCHEMBL8239707

SCHEMBL8239707

CS(=O)(=O)Nc1ccccc1N1CCN(C(=O)c2cccnc2Oc2ccc(C(=O)O)cc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
GPR6 P46095 2/20 0.45
NPC1 O15118 2/20 0.45
SLC6A7 Q99884 1/20 0.45
KMT2A Q03164 2/20 0.44
TSHR P16473 1/20 0.43
GAA P10253 1/20 0.42
POLB P06746 1/20 0.42
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
PDE10A Q9Y233 1/20 0.41

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
SCHEMBL4761689 0.85 POLB (0.52) ALDH1A1NPC1SLC6A7KMT2ATSHR
SCHEMBL4762861 0.83 ALDH1A1 (0.64) ALDH1A1KMT2ATSHRGAAPOLB
SCHEMBL4762542 0.80 HSD11B1 (0.53) ALDH1A1SLC6A7GAAMAPT
SCHEMBL8250573 0.79 ALDH1A1 (0.48) ALDH1A1GPR6NPC1KMT2ATSHR
SCHEMBL4761824 0.79 POLB (0.49) ALDH1A1NPC1SLC6A7KMT2AGAA
SCHEMBL4764201 0.78 POLB (0.49) ALDH1A1NPC1SLC6A7KMT2ATSHR
SCHEMBL8246475 0.78 ALDH1A1 (0.58) ALDH1A1SLC6A7GAAPOLBMAPT
SCHEMBL4763187 0.76 SMN1; SMN2 (0.55) ALDH1A1SLC6A7KMT2ATSHRMEN1
SCHEMBL4762664 0.76 POLB (0.56) ALDH1A1NPC1SLC6A7KMT2ATSHR
SCHEMBL4761369 0.76 POLB (0.52) ALDH1A1NPC1SLC6A7KMT2ATSHR

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-2007009635-A1 PHENYL SUBSTITUTED PIPERAZINE-DERIVATIVES AS INHIBITORS OF PLAMINOGENIC ACTIVATOR INHIBITORS-I (PAI-I) BAYER HEALTHCARE AG (DE) 2007-01-25 WO disclosed