SCHEMBL6968837

SCHEMBL6968837

N=C(Nc1ccc(CN2CCCC2)cc1)c1cccs1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.58
RAB9A P51151 3/20 0.58
NPC1 O15118 2/20 0.58
TP53 P04637 1/20 0.58
MLLT1 Q03111 1/20 0.52
KDM4E B2RXH2 2/20 0.50
ALDH1A1 P00352 2/20 0.50
GAA P10253 4/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.48
ALOX15 P16050 1/20 0.48
ESR2 Q92731 1/20 0.48
HSD17B10 Q99714 1/20 0.48
TNIK Q9UKE5 1/20 0.48
CCR2 P41597 1/20 0.47
HTT P42858 2/20 0.46
HRH3 Q9Y5N1 2/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 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
Bromide SCHEMBL8180586 0.99 SMN1; SMN2 (0.57) SMN1; SMN2RAB9ANPC1TP53MLLT1
SCHEMBL9039593 0.99 SMN1; SMN2 (0.57) SMN1; SMN2RAB9ANPC1TP53MLLT1
Hydrochloric Acid SCHEMBL9212469 0.97 SMN1; SMN2 (0.56) SMN1; SMN2RAB9ANPC1TP53MLLT1
Bromide SCHEMBL6961358 0.97 SMN1; SMN2 (0.56) SMN1; SMN2RAB9ANPC1TP53MLLT1
SCHEMBL9039113 0.87 MEN1 (0.48) SMN1; SMN2RAB9ANPC1TP53MLLT1
Hydrochloric Acid SCHEMBL9221658 0.86 MEN1 (0.47) SMN1; SMN2RAB9ANPC1TP53MLLT1
SCHEMBL8180687 0.86 MEN1 (0.47) SMN1; SMN2RAB9ANPC1TP53MLLT1
Bromide SCHEMBL6967598 0.86 MEN1 (0.47) SMN1; SMN2RAB9ANPC1TP53MLLT1
SCHEMBL4317299 0.85 SMN1; SMN2 (0.51) SMN1; SMN2RAB9ANPC1TP53MLLT1
Hydrochloric Acid SCHEMBL6962238 0.85 MEN1 (0.46) SMN1; SMN2RAB9ANPC1TP53MLLT1

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
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
CN-1132505-A Amidine derivatives with nitric oxide synthetase activities ASTERA CO (SE) 1996-10-02 CN disclosed