SCHEMBL4761689

SCHEMBL4761689

O=C(O)c1ccc(Oc2ncccc2C(=O)N2CCN(c3ccccc3Cl)CC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.52
MEN1 O00255 2/20 0.51
MAPT P10636 2/20 0.51
KMT2A Q03164 2/20 0.51
SLC6A7 Q99884 1/20 0.51
ALDH1A1 P00352 3/20 0.49
KDM4E B2RXH2 1/20 0.49
HPGD P15428 1/20 0.49
HSD17B10 Q99714 1/20 0.49
NPC1 O15118 2/20 0.48
GAA P10253 1/20 0.47
PKM P14618 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
TSHR P16473 1/20 0.46
GPBAR1 Q8TDU6 1/20 0.45

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
SCHEMBL4761824 0.93 POLB (0.49) POLBMEN1MAPTKMT2ASLC6A7
SCHEMBL4762861 0.87 ALDH1A1 (0.64) POLBMEN1MAPTKMT2AALDH1A1
SCHEMBL4762542 0.86 HSD11B1 (0.53) MAPTSLC6A7ALDH1A1GAAGPBAR1
SCHEMBL4762664 0.86 POLB (0.56) POLBMEN1MAPTKMT2ASLC6A7
SCHEMBL4761369 0.86 POLB (0.52) POLBMEN1MAPTKMT2ASLC6A7
SCHEMBL8245894 0.85 POLB (0.47) POLBMEN1MAPTKMT2ASLC6A7
SCHEMBL8239707 0.85 ALDH1A1 (0.46) POLBMEN1MAPTKMT2ASLC6A7
SCHEMBL4764201 0.82 POLB (0.49) POLBMEN1MAPTKMT2ASLC6A7
SCHEMBL8246475 0.82 ALDH1A1 (0.58) POLBMAPTSLC6A7ALDH1A1KDM4E
SCHEMBL4763187 0.82 SMN1; SMN2 (0.55) MEN1MAPTKMT2ASLC6A7ALDH1A1

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
EP-1907363-A1 PHENYL SUBSTITUTED PIPERAZINE-DERIVATIVES AS INHIBITORS OF PLAMINOGENIC ACTIVATOR INHIBITORS-I (PAI-I) Bayer HealthCare AG (DE) 2008-04-09 EP disclosed
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