SCHEMBL8395178

SCHEMBL8395178

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.51
MGLL Q99685 3/20 0.50
KDM1A O60341 1/20 0.50
RCOR1 Q9UKL0 1/20 0.50
ALDH1A1 P00352 2/20 0.48
MAPK1 P28482 1/20 0.47
ENPP2 Q13822 2/20 0.46
OPRK1 P41145 1/20 0.46
LMNA P02545 1/20 0.45
HTT P42858 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
POLB P06746 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
USP2 O75604 1/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44
BLM P54132 1/20 0.44
KMT2A Q03164 1/20 0.44
TPSAB1 Q15661 1/20 0.44

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
SCHEMBL8392121 0.89 MGLL (0.63) MGLLKDM1ARCOR1ALDH1A1ENPP2
Oxalic Acid SCHEMBL8395194 0.87 MGLL (0.60) MGLLKDM1ARCOR1ALDH1A1ENPP2
SCHEMBL8395182 0.81 KDM1A (0.48) PARP1MGLLKDM1ARCOR1ALDH1A1
SCHEMBL8393072 0.81 POLB (0.46) ALDH1A1HTTPOLB
SCHEMBL7315510 0.79 KDM1A (0.67) PARP1MGLLKDM1ARCOR1ALDH1A1
SCHEMBL8395561 0.79 MAPT (0.68) ALDH1A1HTTPOLBKDM4EMEN1
Hydrochloric Acid SCHEMBL8392011 0.78 MAPT (0.67) ALDH1A1LMNAHTTPOLBKDM4E
SCHEMBL7406969 0.77 HTT (0.59) PARP1MGLLKDM1ARCOR1ALDH1A1
SCHEMBL8394169 0.76 MAPT (0.59) ALDH1A1LMNAHTTPOLBKDM4E
SCHEMBL7458364 0.76 ALDH1A1 (0.65) PARP1MGLLKDM1ARCOR1ALDH1A1

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