SCHEMBL6969347

SCHEMBL6969347

N=C(Nc1ccc(CCNC(=O)Cc2ccccc2)cc1)c1cccs1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.58
KMT2A Q03164 3/20 0.58
MEN1 O00255 2/20 0.58
NPC1 O15118 4/20 0.56
RAB9A P51151 3/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
ALDH1A1 P00352 2/20 0.51
TP53 P04637 1/20 0.51
MAPT P10636 5/20 0.49
POLB P06746 2/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA5A P35218 1/20 0.49
CA7 P43166 1/20 0.49
CA5B Q9Y2D0 1/20 0.49
HPGD P15428 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
GAA P10253 1/20 0.48

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
SCHEMBL6968097 0.88 KDM4E (0.60) KDM4EKMT2AMEN1NPC1RAB9A
SCHEMBL9038704 0.86 NPC1 (0.55) KDM4EKMT2AMEN1NPC1RAB9A
SCHEMBL6957502 0.85 NPC1 (0.61) KDM4EKMT2AMEN1NPC1RAB9A
Iodide SCHEMBL6962649 0.85 NPC1 (0.54) KDM4EKMT2AMEN1NPC1RAB9A
SCHEMBL9037372 0.84 NPC1 (0.51) KDM4EKMT2AMEN1NPC1RAB9A
SCHEMBL6958477 0.83 NPC1 (0.51) KDM4EKMT2AMEN1NPC1RAB9A
SCHEMBL8150881 0.83 NPC1 (0.51) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL4627573 0.83 NPC1 (0.52) KDM4EKMT2AMEN1NPC1RAB9A
SCHEMBL6868876 0.82 KMT2A (0.65) KDM4EKMT2AMEN1NPC1RAB9A
SCHEMBL4625755 0.82 KMT2A (0.65) KDM4EKMT2AMEN1NPC1RAB9A

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