SCHEMBL7081200

SCHEMBL7081200

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.56
RAB9A P51151 7/20 0.56
KMT2A Q03164 7/20 0.56
MEN1 O00255 6/20 0.56
TDP1 Q9NUW8 1/20 0.56
SMN1; SMN2 Q16637 4/20 0.53
TP53 P04637 2/20 0.53
EPHX1 P07099 1/20 0.53
TSHR P16473 1/20 0.53
EPHX2 P34913 1/20 0.53
CDK9 P50750 1/20 0.53
CLK4 Q9HAZ1 1/20 0.53
CASP3 P42574 1/20 0.51
SENP7 Q9BQF6 1/20 0.51
MAOA P21397 2/20 0.50
MAOB P27338 2/20 0.50
KDM4E B2RXH2 2/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
LMNA P02545 2/20 0.49

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
SCHEMBL7084928 0.93 KCNK3 (0.58) NPC1RAB9AKMT2AMEN1TDP1
SCHEMBL6280367 0.90 RAB9A (0.53) NPC1RAB9AKMT2AMEN1TDP1
Oxalic Acid SCHEMBL6956873 0.90 KCNK3 (0.56) NPC1RAB9AKMT2AMEN1TDP1
SCHEMBL7082449 0.88 MAOA (0.54) NPC1RAB9AKMT2AMEN1TDP1
SCHEMBL9053766 0.88 LMNA (0.66) NPC1RAB9AKMT2AMEN1TDP1
SCHEMBL4628336 0.87 NPC1 (0.51) NPC1RAB9AKMT2AMEN1TDP1
Hydrochloric Acid SCHEMBL7134294 0.87 LMNA (0.64) NPC1RAB9AKMT2AMEN1TDP1
SCHEMBL6958482 0.87 MEN1 (0.71) NPC1RAB9AKMT2AMEN1TDP1
SCHEMBL9048452 0.87 NPC1 (0.60) NPC1RAB9AKMT2AMEN1TDP1
Iodide SCHEMBL5418758 0.86 NPC1 (0.50) NPC1RAB9AKMT2AMEN1TDP1

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
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
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
EP-0713483-A1 AMIDINE DERIVATIVES WITH NITRIC OXIDE SYNTHETASE ACTIVITIES Astra Aktiebolag (SE) 1996-05-29 EP disclosed
WO-1995005363-A1 AMIDINE DERIVATIVES WITH NITRIC OXIDE SYNTHETASE ACTIVITIES ASTRA AKTIEBOLAG (SE) 1995-02-23 WO disclosed