SCHEMBL9047210

SCHEMBL9047210

N=C(Nc1ccc(CCNC(=O)N2CCOCC2)cc1)c1cccs1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 8/20 0.56
MEN1 O00255 4/20 0.56
KMT2A Q03164 4/20 0.56
NPC1 O15118 6/20 0.53
RAB9A P51151 6/20 0.53
TP53 P04637 1/20 0.53
HPGDS O60760 1/20 0.48
NAMPT P43490 3/20 0.46
ALDH1A1 P00352 5/20 0.44
TSHR P16473 1/20 0.44
GAA P10253 3/20 0.44
GLA P06280 1/20 0.44
MAPT P10636 5/20 0.44
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
HPGD P15428 2/20 0.42
KDM4E B2RXH2 1/20 0.42
USP2 O75604 1/20 0.42
CASP1 P29466 1/20 0.42
CASP7 P55210 1/20 0.42

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
Iodide SCHEMBL7076165 0.99 SMN1; SMN2 (0.55) SMN1; SMN2MEN1KMT2ANPC1RAB9A
Iodide SCHEMBL6961661 0.83 NPC1 (0.52) SMN1; SMN2MEN1KMT2ANPC1RAB9A
SCHEMBL6958477 0.79 NPC1 (0.51) SMN1; SMN2MEN1KMT2ANPC1RAB9A
SCHEMBL8150881 0.79 NPC1 (0.51) SMN1; SMN2MEN1KMT2ANPC1RAB9A
SCHEMBL9047216 0.79 NOS1 (0.56) SMN1; SMN2MEN1KMT2ATSHR
SCHEMBL8393415 0.78 KMT2A (0.62) SMN1; SMN2MEN1KMT2ANPC1RAB9A
Iodide SCHEMBL7076168 0.78 NOS1 (0.55) SMN1; SMN2MEN1KMT2A
SCHEMBL9038704 0.77 NPC1 (0.55) SMN1; SMN2MEN1KMT2ANPC1RAB9A
SCHEMBL6957502 0.76 NPC1 (0.61) SMN1; SMN2MEN1KMT2ANPC1RAB9A
Iodide SCHEMBL6962649 0.76 NPC1 (0.54) SMN1; SMN2MEN1KMT2ANPC1RAB9A

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 6 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