SCHEMBL8250759

SCHEMBL8250759

COc1cccc(N2CCN(C(=O)c3cccnc3Oc3ccc(C(=O)O)cc3)CC2)c1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.57
HPGD P15428 1/20 0.52
TSHR P16473 2/20 0.51
KMT2A Q03164 3/20 0.49
PARP14 Q460N5 1/20 0.48
PARP10 Q53GL7 1/20 0.48
SLC6A7 Q99884 2/20 0.48
MAPT P10636 3/20 0.48
NPC1 O15118 1/20 0.48
GAA P10253 1/20 0.47
MEN1 O00255 1/20 0.47
LMNA P02545 1/20 0.47
TP53 P04637 1/20 0.47
HSD17B10 Q99714 1/20 0.47
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
NAMPT P43490 1/20 0.46

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
SCHEMBL8246475 0.91 ALDH1A1 (0.58) ALDH1A1PARP14PARP10SLC6A7MAPT
SCHEMBL4761009 0.86 MEN1 (0.56) ALDH1A1TSHRKMT2AMAPTGAA
SCHEMBL4763376 0.86 SLC6A7 (0.48) ALDH1A1TSHRKMT2APARP14PARP10
SCHEMBL4764201 0.85 POLB (0.49) ALDH1A1TSHRKMT2ASLC6A7MAPT
SCHEMBL4761369 0.85 POLB (0.52) ALDH1A1TSHRKMT2APARP14PARP10
SCHEMBL8245894 0.85 POLB (0.47) ALDH1A1TSHRKMT2ASLC6A7MAPT
SCHEMBL4763187 0.83 SMN1; SMN2 (0.55) ALDH1A1TSHRKMT2APARP14PARP10
SCHEMBL4762664 0.83 POLB (0.56) ALDH1A1TSHRKMT2APARP14PARP10
SCHEMBL4762861 0.83 ALDH1A1 (0.64) ALDH1A1HPGDTSHRKMT2AMAPT
SCHEMBL4762716 0.82 SMN1; SMN2 (0.51) ALDH1A1TSHRKMT2ASLC6A7MAPT

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