SCHEMBL9037285

SCHEMBL9037285

N=C(Nc1cccc(NC(=O)c2ccccc2)c1)c1cccs1

nearest known ligand 0.80

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KCNK3 O14649 6/20 0.80
KCNK9 Q9NPC2 5/20 0.80
MEN1 O00255 6/20 0.67
KMT2A Q03164 6/20 0.67
MAPT P10636 3/20 0.67
ALDH1A1 P00352 2/20 0.67
NPC1 O15118 1/20 0.63
RAB9A P51151 1/20 0.63
HTT P42858 1/20 0.58
SIRT1 Q96EB6 1/20 0.56

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
Oxalic Acid SCHEMBL6956900 0.97 KCNK3 (0.76) KCNK3KCNK9MEN1KMT2AMAPT
SCHEMBL8572023 0.90 MEN1 (0.78) KCNK3KCNK9MEN1KMT2AMAPT
Iodide SCHEMBL6957570 0.89 MEN1 (0.76) KCNK3KCNK9MEN1KMT2AMAPT
SCHEMBL6958482 0.89 MEN1 (0.71) KCNK3KCNK9MEN1KMT2AMAPT
SCHEMBL7084928 0.86 KCNK3 (0.58) KCNK3KCNK9MEN1KMT2AMAPT
SCHEMBL6962792 0.85 KCNK3 (0.54) KCNK3KCNK9MEN1KMT2AMAPT
Oxalic Acid SCHEMBL27363239 0.85 KCNK3 (0.58) KCNK3KCNK9MEN1KMT2AMAPT
Oxalic Acid SCHEMBL6956873 0.84 KCNK3 (0.56) KCNK3KCNK9MEN1KMT2AMAPT
SCHEMBL12259170 0.81 KCNK3 (0.84) KCNK3KCNK9MEN1KMT2AMAPT
SCHEMBL6280367 0.81 RAB9A (0.53) KCNK3KCNK9MEN1KMT2AMAPT

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
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