SCHEMBL8395182

SCHEMBL8395182

NC(=Nc1cccc(NC(=O)CNC(=O)OCc2ccccc2)c1)N1CCCC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.48
RCOR1 Q9UKL0 1/20 0.48
PARP1 P09874 1/20 0.48
ALDH1A1 P00352 2/20 0.44
MGLL Q99685 1/20 0.43
PLAU P00749 1/20 0.43
TPSAB1 Q15661 2/20 0.42
PRSS1 P07477 1/20 0.42
PREP P48147 2/20 0.42
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
MAPK1 P28482 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
USP2 O75604 1/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
BLM P54132 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
SCHEMBL8392127 0.90 MGLL (0.54) KDM1ARCOR1ALDH1A1MGLLPOLB
SCHEMBL8393076 0.83 AURKB (0.43) ALDH1A1HTTPOLBMAPT
SCHEMBL8395178 0.81 PARP1 (0.51) KDM1ARCOR1PARP1ALDH1A1MGLL
SCHEMBL8395565 0.81 MAPT (0.57) ALDH1A1PLAUHTTKDM4EMEN1
Hydrochloric Acid SCHEMBL8392015 0.80 MAPT (0.56) ALDH1A1PLAUHTTKDM4EMEN1
SCHEMBL8392641 0.77 RAB9A (0.48) ALDH1A1PRSS1LMNAHTTMEN1
SCHEMBL8394991 0.77 ALDH1A1 (0.51) PARP1ALDH1A1PRSS1LMNAHTT
SCHEMBL8394171 0.77 MAPT (0.51) ALDH1A1LMNAHTTKDM4EMEN1
SCHEMBL8396206 0.77 MAPT (0.49) ALDH1A1LMNAHTTMAPK1MAPT
Hydrochloric Acid SCHEMBL8397108 0.76 RAB9A (0.47) ALDH1A1LMNAHTTMEN1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0690851-B1 GUANIDINE DERIVATIVES USEFUL IN THERAPY ASTRA AB (SE) 1999-05-19 EP claimed
US-5885985-A Guanidine derivatives useful in therapy ASTRA AKTIEBOLAG (SE) 1999-03-23 US claimed
EP-0690851-A1 GUANIDINE DERIVATIVES USEFUL IN THERAPY Astra Aktiebolag (SE) 1996-01-10 EP claimed
WO-1994021621-A1 GUANIDINE DERIVATIVES USEFUL IN THERAPY ASTRA AKTIEBOLAG (SE) 1994-09-29 WO claimed
US-5998399-A Guanidine derivatives useful in therapy as inhibitors of nitric oxide synthetase ASTRA AKTIEBOLAG (SE) 1999-12-07 US disclosed
EP-0690851-B1 GUANIDINE DERIVATIVES USEFUL IN THERAPY ASTRA AB (SE) 1999-05-19 EP disclosed
US-5885985-A Guanidine derivatives useful in therapy ASTRA AKTIEBOLAG (SE) 1999-03-23 US disclosed
EP-0690851-A1 GUANIDINE DERIVATIVES USEFUL IN THERAPY Astra Aktiebolag (SE) 1996-01-10 EP disclosed
WO-1994021621-A1 GUANIDINE DERIVATIVES USEFUL IN THERAPY ASTRA AKTIEBOLAG (SE) 1994-09-29 WO disclosed