SCHEMBL6960876

SCHEMBL6960876

N=C(Nc1cccc(CCNCc2ccccc2Cl)c1)c1cccs1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 3/20 0.43
NOS1 P29475 2/20 0.43
NOS2 P35228 2/20 0.43
NPC1 O15118 1/20 0.42
HTT P42858 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MAPT P10636 3/20 0.39
ACKR3 P25106 1/20 0.39
KDM4E B2RXH2 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
LMNA P02545 1/20 0.38
KCNJ5 P48544 1/20 0.38
KCNJ3 P48549 1/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL6965602 0.88 POLB (0.44) NOS3NOS1NOS2NPC1HTT
SCHEMBL27354995 0.88 NOS3 (0.40) NOS3NOS1NOS2NPC1HTT
SCHEMBL6968440 0.88 MAPT (0.39) NOS3NOS1NOS2NPC1HTT
SCHEMBL6964306 0.88 NOS3 (0.43) NOS3NOS1NOS2NPC1RAB9A
SCHEMBL6968062 0.88 MAPT (0.46) NOS3NOS1NOS2NPC1HTT
SCHEMBL15499647 0.88 NOS3 (0.48) NOS3NOS1NOS2NPC1HTT
SCHEMBL6967589 0.86 NOS3 (0.59) NOS3NOS1NOS2NPC1HTT
SCHEMBL9219873 0.85 SMN1; SMN2 (0.48) NOS3NOS1NOS2NPC1HTT
Hydrochloric Acid SCHEMBL9220884 0.84 SMN1; SMN2 (0.47) NOS3NOS1NOS2NPC1HTT
Bromide SCHEMBL6963833 0.84 SMN1; SMN2 (0.47) NOS3NOS1NOS2NPC1HTT

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
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
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