SCHEMBL6958477

SCHEMBL6958477

CC(=O)NCCc1ccc(NC(=N)c2cccs2)cc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.51
RAB9A P51151 8/20 0.51
SMN1; SMN2 Q16637 7/20 0.51
MAPT P10636 3/20 0.51
KDM4E B2RXH2 1/20 0.48
F13A1 P00488 1/20 0.48
LMNA P02545 1/20 0.47
TP53 P04637 2/20 0.46
KMT2A Q03164 3/20 0.46
ALDH1A1 P00352 3/20 0.46
MEN1 O00255 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
HPGD P15428 1/20 0.45
TSHR P16473 1/20 0.45
HTT P42858 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
SCHEMBL8150881 0.88 NPC1 (0.51) NPC1RAB9ASMN1; SMN2MAPTLMNA
SCHEMBL9038704 0.85 NPC1 (0.55) NPC1RAB9ASMN1; SMN2MAPTKDM4E
Iodide SCHEMBL6962649 0.84 NPC1 (0.54) NPC1RAB9ASMN1; SMN2MAPTKDM4E
SCHEMBL6959986 0.84 NPC1 (0.51) NPC1RAB9ASMN1; SMN2MAPTTP53
SCHEMBL6957502 0.84 NPC1 (0.61) NPC1RAB9ASMN1; SMN2MAPTKDM4E
SCHEMBL6966852 0.84 NPC1 (0.44) NPC1RAB9ASMN1; SMN2MAPTKDM4E
SCHEMBL6969347 0.83 KDM4E (0.58) NPC1RAB9ASMN1; SMN2MAPTKDM4E
SCHEMBL4409784 0.83 CNR1 (0.61) NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL4627573 0.82 NPC1 (0.52) NPC1RAB9ASMN1; SMN2MAPTKDM4E
SCHEMBL4404248 0.82 NPC1 (0.52) NPC1RAB9ASMN1; SMN2MAPTKDM4E

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