SCHEMBL6969036

SCHEMBL6969036

COc1ccc(CNCCc2ccc(NC(=N)c3cccs3)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.52
KMT2A Q03164 4/20 0.52
ATM Q13315 1/20 0.52
RAB9A P51151 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
NPC1 O15118 1/20 0.51
TP53 P04637 1/20 0.51
ALDH1A1 P00352 5/20 0.51
HPGD P15428 2/20 0.51
BCHE P06276 1/20 0.48
GAA P10253 1/20 0.48
MAPT P10636 1/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA4 P22748 1/20 0.46
CA9 Q16790 1/20 0.46
FPR2 P25090 1/20 0.46
LMNA P02545 2/20 0.45
POLB P06746 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
SCHEMBL9039601 0.87 NPC1 (0.48) MEN1KMT2ARAB9ASMN1; SMN2NPC1
SCHEMBL6963560 0.87 GAA (0.49) MEN1KMT2AATMRAB9ASMN1; SMN2
SCHEMBL6958210 0.87 GAA (0.49) MEN1KMT2AATMRAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL6962460 0.86 NPC1 (0.47) MEN1KMT2ARAB9ASMN1; SMN2NPC1
Hydrochloric Acid SCHEMBL6966289 0.86 NPC1 (0.47) MEN1KMT2ARAB9ASMN1; SMN2NPC1
SCHEMBL27357975 0.85 NOS3 (0.47) MEN1KMT2ARAB9ASMN1; SMN2NPC1
SCHEMBL4397478 0.85 ALDH1A1 (0.44) MEN1KMT2ASMN1; SMN2ALDH1A1GAA
SCHEMBL6962276 0.85 NPC1 (0.52) MEN1KMT2ARAB9ASMN1; SMN2NPC1
SCHEMBL4396223 0.84 RAB9A (0.68) MEN1KMT2ARAB9ASMN1; SMN2NPC1
Hydrochloric Acid SCHEMBL6961155 0.84 ALDH1A1 (0.43) MEN1KMT2ASMN1; SMN2ALDH1A1GAA

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