SCHEMBL9053769

SCHEMBL9053769

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

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.58
HTT P42858 1/20 0.58
NOS1 P29475 5/20 0.55
NOS3 P29474 3/20 0.52
NOS2 P35228 2/20 0.52
RAB9A P51151 4/20 0.50
NPC1 O15118 3/20 0.50
ALDH1A1 P00352 3/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
GAA P10253 2/20 0.50
MAPT P10636 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.49
KDM4E B2RXH2 1/20 0.48
POLB P06746 1/20 0.48
TP53 P04637 1/20 0.48
HPGD P15428 1/20 0.48

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
Hydrochloric Acid SCHEMBL7134297 0.99 LMNA (0.57) LMNAHTTNOS1NOS3NOS2
SCHEMBL7082816 0.91 NOS1 (0.52) LMNAHTTNOS1NOS3NOS2
SCHEMBL7081205 0.90 NOS1 (0.66) LMNANOS1NOS3NOS2RAB9A
SCHEMBL9046185 0.89 NOS1 (0.58) LMNAHTTNOS1NOS3NOS2
Hydrochloric Acid SCHEMBL7078869 0.88 NOS3 (0.59) LMNAHTTNOS1NOS3NOS2
SCHEMBL7082453 0.87 NOS1 (0.57) LMNANOS1RAB9ANPC1ALDH1A1
SCHEMBL7077721 0.87 MEN1 (0.53) LMNANOS1NOS3NOS2RAB9A
SCHEMBL9055146 0.85 ALDH1A1 (0.54) NOS1NOS3NOS2RAB9ANPC1
Hydrochloric Acid SCHEMBL7086428 0.84 ALDH1A1 (0.53) NOS1NOS3NOS2RAB9ANPC1
SCHEMBL9037878 0.84 NPC1 (0.69) LMNAHTTNOS1RAB9ANPC1

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 2 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