SCHEMBL6958210

SCHEMBL6958210

N=C(Nc1ccc(CNCCc2ccccc2)cc1)c1cccs1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.49
MAPT P10636 1/20 0.49
NPC1 O15118 3/20 0.48
RAB9A P51151 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
NOS3 P29474 2/20 0.46
NOS1 P29475 1/20 0.46
NOS2 P35228 1/20 0.46
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 2/20 0.45
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
TP53 P04637 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
BCHE P06276 2/20 0.43
CHEK1 O14757 1/20 0.43
ATM Q13315 1/20 0.42
CA12 O43570 1/20 0.42

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
SCHEMBL6963560 1.00 GAA (0.49) GAAMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL9037372 0.94 NPC1 (0.51) GAAMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL6962188 0.92 SIGMAR1 (0.54) NPC1RAB9ASMN1; SMN2KDM4EMEN1
SCHEMBL6963445 0.91 MEN1 (0.49) MAPTNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL27357975 0.90 NOS3 (0.47) MAPTNPC1RAB9ASMN1; SMN2NOS3
SCHEMBL6962276 0.90 NPC1 (0.52) GAAMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL4397478 0.90 ALDH1A1 (0.44) GAASMN1; SMN2NOS3NOS1NOS2
SCHEMBL9039601 0.90 NPC1 (0.48) GAAMAPTNPC1RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL6962460 0.89 NPC1 (0.47) GAAMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL15499648 0.89 NOS3 (0.51) GAAMAPTNPC1RAB9ASMN1; SMN2

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-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
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