SCHEMBL6957841

SCHEMBL6957841

CC(=O)N(Cc1ccccc1)Oc1ccc(N)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.47
PTGS1 P23219 1/20 0.47
PTGS2 P35354 1/20 0.47
RAB9A P51151 6/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
MAOB P27338 2/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
MAOA P21397 1/20 0.44
TSPO P30536 2/20 0.43
NR3C1 P04150 1/20 0.42
NPC1 O15118 5/20 0.41
ACHE P22303 1/20 0.40
MAPK1 P28482 1/20 0.40
CNR2 P34972 1/20 0.39
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
CA12 O43570 1/20 0.39
CA9 Q16790 1/20 0.39

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
SCHEMBL8632180 0.80 GSK3B (0.49) ALOX5PTGS1PTGS2RAB9AL3MBTL1
SCHEMBL6965769 0.80 ALDH1A1 (0.57) SMN1; SMN2L3MBTL1MAOBGAANR3C1
SCHEMBL4053407 0.79 TSHR (0.42) RAB9ASMN1; SMN2L3MBTL1MAPTMAOA
SCHEMBL27862677 0.75 ALOX5 (0.47) ALOX5PTGS1PTGS2RAB9ASMN1; SMN2
SCHEMBL19439090 0.72 SRD5A1 (0.52) RAB9ASMN1; SMN2L3MBTL1MAOBGAA
SCHEMBL27466888 0.72 L3MBTL1 (0.42) RAB9ASMN1; SMN2L3MBTL1MAPTTSPO
SCHEMBL11290932 0.71 SMN1; SMN2 (0.39) SMN1; SMN2L3MBTL1TSPO
SCHEMBL8790130 0.71 RAB9A (0.81) RAB9ASMN1; SMN2MAOBNPC1MAPK1
SCHEMBL29023028 0.71 MEN1 (0.58) SMN1; SMN2NPC1MAPK1MEN1KMT2A
SCHEMBL8545520 0.70 PPIB (0.51) ALOX5PTGS1PTGS2RAB9ASMN1; SMN2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0713483-B1 AMIDINE DERIVATIVES WITH NITRIC OXIDE SYNTHETASE ACTIVITIES ASTRAZENECA AB (SE) 2003-01-15 EP 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
EP-0713483-A1 AMIDINE DERIVATIVES WITH NITRIC OXIDE SYNTHETASE ACTIVITIES Astra Aktiebolag (SE) 1996-05-29 EP disclosed
WO-1995005363-A1 AMIDINE DERIVATIVES WITH NITRIC OXIDE SYNTHETASE ACTIVITIES ASTRA AKTIEBOLAG (SE) 1995-02-23 WO disclosed