SCHEMBL7082453

SCHEMBL7082453

NC(=Nc1ccc(NC(=O)Nc2ccc(Br)cc2)cc1)c1cccs1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 3/20 0.57
GRIN2D O15399 1/20 0.49
GRIN3B O60391 1/20 0.49
GRIN1 Q05586 1/20 0.49
GRIN2A Q12879 1/20 0.49
GRIN2B Q13224 1/20 0.49
GRIN2C Q14957 1/20 0.49
GRIN3A Q8TCU5 1/20 0.49
SIGMAR1 Q99720 1/20 0.49
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
ALDH1A1 P00352 1/20 0.48
TP53 P04637 1/20 0.48
HPGD P15428 1/20 0.48
MAOA P21397 1/20 0.48
MAOB P27338 1/20 0.48
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
TDP1 Q9NUW8 1/20 0.47
LMNA P02545 1/20 0.45

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
SCHEMBL7081205 0.90 NOS1 (0.66) NOS1NPC1RAB9AALDH1A1TP53
Bromide SCHEMBL7132671 0.88 SMN1; SMN2 (0.50) NOS1MEN1KMT2ASMN1; SMN2
SCHEMBL9053769 0.87 LMNA (0.58) NOS1NPC1RAB9AALDH1A1TP53
Hydrochloric Acid SCHEMBL7134297 0.86 LMNA (0.57) NOS1NPC1RAB9AALDH1A1TP53
SCHEMBL7082816 0.84 NOS1 (0.52) NOS1NPC1RAB9AALDH1A1TP53
SCHEMBL9037878 0.84 NPC1 (0.69) NOS1NPC1RAB9AALDH1A1TP53
SCHEMBL9046185 0.82 NOS1 (0.58) NOS1NPC1RAB9AALDH1A1TP53
SCHEMBL7080394 0.82 SMN1; SMN2 (0.51) NOS1NPC1RAB9AHPGDKMT2A
SCHEMBL7077721 0.82 MEN1 (0.53) NOS1NPC1RAB9AALDH1A1HPGD
Hydrochloric Acid SCHEMBL7078869 0.81 NOS3 (0.59) NOS1NPC1RAB9AALDH1A1TP53

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
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
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
WO-1995005363-A1 AMIDINE DERIVATIVES WITH NITRIC OXIDE SYNTHETASE ACTIVITIES ASTRA AKTIEBOLAG (SE) 1995-02-23 WO disclosed