SCHEMBL7708239

SCHEMBL7708239

CCC1Sc2ccc(C(F)(F)F)cc2N=C1N

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.40
NOS1 P29475 1/20 0.40
NOS2 P35228 1/20 0.40
LMNA P02545 2/20 0.37
MAPT P10636 4/20 0.36
PTPN5 P54829 1/20 0.35
TP53 P04637 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
ATM Q13315 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CTSD P07339 5/20 0.34
EPHX2 P34913 1/20 0.33
SCN4A P35499 1/20 0.33
HTT P42858 1/20 0.33
CYBB P04839 1/20 0.33
NOX3 Q9HBY0 1/20 0.33
NOX4 Q9NPH5 1/20 0.33
NOX1 Q9Y5S8 1/20 0.33
ADAMTS5 Q9UNA0 1/20 0.32

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
SCHEMBL7708360 0.89 ADAMTS5 (0.40) NOS3NOS1NOS2LMNAMAPT
SCHEMBL7713419 0.81 NOS3 (0.43) NOS3NOS1NOS2MAPTPTPN5
SCHEMBL6999115 0.69 LMNA (0.47) LMNAMAPTPTPN5TP53SMN1; SMN2
SCHEMBL6993134 0.69 LMNA (0.60) LMNAMAPTTP53SMN1; SMN2HTT
SCHEMBL8523594 0.68 LMNA (0.50) LMNAMAPTTP53SMN1; SMN2L3MBTL1
SCHEMBL7708028 0.64 NOS3 (0.43) NOS3NOS1NOS2CTSDEPHX2
SCHEMBL7000029 0.62 LMNA (0.45) LMNAMAPTPTPN5TP53SMN1; SMN2
SCHEMBL7004061 0.62 LMNA (0.58) LMNAMAPTTP53SMN1; SMN2HTT
SCHEMBL22620409 0.62 CHRNB2 (0.37) NOS3NOS1NOS2CTSD
SCHEMBL19730975 0.61 NOX1 (0.41) MAPTPTPN5CYBBNOX3NOX4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6365736-B1 TREATMENT OF NERVOUS SYSTEM DISORDERS, CARDIOVASCULAR DISORDERS AND FOR ACTIVITY AS NO-SYNTHASES (NOS) INHIBITORS. SCHERING AKTIENGESELLSCHAFT (DE) 2002-04-02 US disclosed