SCHEMBL5632013

SCHEMBL5632013

O=S(=O)(Nc1ccc(OC2CCN(c3ccncc3)CC2)cc1)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.47
UQCRB P14927 2/20 0.47
HTR6 P50406 3/20 0.46
KMT2A Q03164 2/20 0.45
PLAU P00749 1/20 0.43
USP2 O75604 1/20 0.43
ALOX15 P16050 1/20 0.43
NAMPT P43490 2/20 0.43
HSP90AA1 P07900 1/20 0.43
HSP90AB1 P08238 1/20 0.43
MAPT P10636 4/20 0.42
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 1/20 0.42
HTR1A P08908 1/20 0.41
HTR1D P28221 1/20 0.41
HTR1B P28222 1/20 0.41
HTR2A P28223 1/20 0.41
PDE4A P27815 1/20 0.41
PGR P06401 1/20 0.41
RECQL P46063 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
SCHEMBL7115867 0.91 CYP3A4 (0.47) LMNAHTR6KMT2AUSP2NAMPT
SCHEMBL5632556 0.88 ALDH1A1 (0.56) LMNAKMT2AUSP2NAMPTMAPT
SCHEMBL5633771 0.87 KMT2A (0.59) LMNAHTR6KMT2APLAUMAPT
SCHEMBL5632390 0.85 ALDH1A1 (0.45) LMNAUQCRBHTR6KMT2AHSP90AA1
SCHEMBL7120480 0.81 KMT2A (0.47) LMNAHTR6KMT2APLAUMAPT
SCHEMBL9760149 0.80 IDO1 (0.45) NAMPTMAPTPDE4A
SCHEMBL5633167 0.79 ALDH1A1 (0.57) LMNAKMT2AALOX15NAMPTMAPT
SCHEMBL5633166 0.79 ALDH1A1 (0.57) LMNAKMT2AALOX15NAMPTMAPT
SCHEMBL7955313 0.78 ACACB (0.49)
SCHEMBL5632729 0.77 F2 (0.55) HTR6KMT2AMAPTALDH1A1MEN1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7173025-B1 Aminoheterocyclic derivatives as antithrombotic or anticoagulant agents ZENECA LIMITED (GB) 2007-02-06 US claimed
EP-0880502-B1 AMINOHETEROCYCLIC DERIVATIVES AS ANTITHROMBOTIC OR ANTICOAGULANT AGENTS ASTRAZENECA AB (SE) 2004-09-01 EP claimed
US-7173025-B1 Aminoheterocyclic derivatives as antithrombotic or anticoagulant agents ZENECA LIMITED (GB) 2007-02-06 US disclosed
EP-0880502-B1 AMINOHETEROCYCLIC DERIVATIVES AS ANTITHROMBOTIC OR ANTICOAGULANT AGENTS ASTRAZENECA AB (SE) 2004-09-01 EP disclosed