SCHEMBL6958482

SCHEMBL6958482

N=C(Nc1ccc(C(=O)Nc2ccccc2)cc1)c1cccs1

nearest known ligand 0.71

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 9/20 0.71
KMT2A Q03164 9/20 0.71
RAB9A P51151 5/20 0.71
NPC1 O15118 4/20 0.71
KCNK3 O14649 1/20 0.62
KCNK9 Q9NPC2 1/20 0.62
MAPT P10636 6/20 0.60
ALDH1A1 P00352 5/20 0.60
TDP1 Q9NUW8 1/20 0.59
KDM4E B2RXH2 2/20 0.58
HTT P42858 2/20 0.58
LMNA P02545 1/20 0.58
SMN1; SMN2 Q16637 3/20 0.57
TP53 P04637 1/20 0.55
PTPN1 P18031 2/20 0.54
GAA P10253 1/20 0.53

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
SCHEMBL8572023 0.96 MEN1 (0.78) MEN1KMT2ARAB9ANPC1KCNK3
Iodide SCHEMBL6957570 0.94 MEN1 (0.76) MEN1KMT2ARAB9ANPC1KCNK3
SCHEMBL9037285 0.89 KCNK3 (0.80) MEN1KMT2ARAB9ANPC1KCNK3
SCHEMBL7081200 0.87 NPC1 (0.56) MEN1KMT2ARAB9ANPC1MAPT
Oxalic Acid SCHEMBL6956900 0.87 KCNK3 (0.76) MEN1KMT2ARAB9ANPC1KCNK3
SCHEMBL9037874 0.86 NPC1 (0.80) MEN1KMT2ARAB9ANPC1MAPT
SCHEMBL6280367 0.86 RAB9A (0.53) MEN1KMT2ARAB9ANPC1KCNK3
Oxalic Acid SCHEMBL6961678 0.85 NPC1 (0.73) MEN1KMT2ARAB9ANPC1MAPT
SCHEMBL6974653 0.83 KMT2A (0.57) MEN1KMT2ARAB9ANPC1MAPT
SCHEMBL11887623 0.83 MEN1 (1.00) MEN1KMT2ARAB9ANPC1KCNK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1071746-C Amidine derivatives with nitric oxide synthetase activities ASTERA CO (SE) 2001-09-26 CN claimed
CN-1132505-A Amidine derivatives with nitric oxide synthetase activities ASTERA CO (SE) 1996-10-02 CN claimed
EP-0713483-A1 AMIDINE DERIVATIVES WITH NITRIC OXIDE SYNTHETASE ACTIVITIES Astra Aktiebolag (SE) 1996-05-29 EP claimed
WO-1995005363-A1 AMIDINE DERIVATIVES WITH NITRIC OXIDE SYNTHETASE ACTIVITIES ASTRA AKTIEBOLAG (SE) 1995-02-23 WO claimed
EP-0713483-B1 AMIDINE DERIVATIVES WITH NITRIC OXIDE SYNTHETASE ACTIVITIES ASTRAZENECA AB (SE) 2003-01-15 EP disclosed
CN-1071746-C Amidine derivatives with nitric oxide synthetase activities ASTERA CO (SE) 2001-09-26 CN disclosed
US-6030985-A Amidine derivatives with nitric oxide synthetase activities ASTRA AKTIEBOLAG (SE) 2000-02-29 US disclosed
US-5807885-A Amidine derivatives with nitric oxide synthetase activities ASTRA AKTIEBOLAG (SE) 1998-09-15 US disclosed
CN-1132505-A Amidine derivatives with nitric oxide synthetase activities ASTERA CO (SE) 1996-10-02 CN disclosed
WO-1995005363-A1 AMIDINE DERIVATIVES WITH NITRIC OXIDE SYNTHETASE ACTIVITIES ASTRA AKTIEBOLAG (SE) 1995-02-23 WO disclosed