SCHEMBL9039113

SCHEMBL9039113

N=C(Nc1ccc(CCN2CCCC2)cc1)c1cccs1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
NPC1 O15118 1/20 0.45
TP53 P04637 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
SLC6A3 Q01959 1/20 0.44
OPRK1 P41145 2/20 0.44
OPRM1 P35372 2/20 0.44
OPRD1 P41143 1/20 0.44
HRH3 Q9Y5N1 3/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
MBTD1 Q05BQ5 1/20 0.43
L3MBTL3 Q96JM7 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
MLLT1 Q03111 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
HTR1A P08908 2/20 0.42
DRD2 P14416 2/20 0.42
MAPT P10636 2/20 0.41

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
Bromide SCHEMBL6967598 0.99 MEN1 (0.47) MEN1KMT2ANPC1TP53RAB9A
SCHEMBL8180687 0.99 MEN1 (0.47) MEN1KMT2ANPC1TP53RAB9A
Hydrochloric Acid SCHEMBL9221658 0.99 MEN1 (0.47) MEN1KMT2ANPC1TP53RAB9A
Hydrochloric Acid SCHEMBL6962238 0.98 MEN1 (0.46) MEN1KMT2ANPC1TP53RAB9A
SCHEMBL6955084 0.93 ALDH1A1 (0.48) MEN1KMT2ANPC1TP53RAB9A
SCHEMBL6968037 0.92 ALDH1A1 (0.47) MEN1KMT2ANPC1TP53RAB9A
SCHEMBL6968837 0.87 SMN1; SMN2 (0.58) MEN1KMT2ANPC1TP53RAB9A
SCHEMBL9039593 0.86 SMN1; SMN2 (0.57) MEN1KMT2ANPC1TP53RAB9A
Bromide SCHEMBL8180586 0.86 SMN1; SMN2 (0.57) MEN1KMT2ANPC1TP53RAB9A
SCHEMBL4315611 0.86 SMN1; SMN2 (0.42) MEN1KMT2ANPC1TP53RAB9A

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 7 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
CN-1071746-C Amidine derivatives with nitric oxide synthetase activities ASTERA CO (SE) 2001-09-26 CN 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