SCHEMBL20310312

SCHEMBL20310312

C=C/N=C\c1ncccc1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTH P32929 3/20 0.48
NOS3 P29474 1/20 0.39
NOS1 P29475 1/20 0.39
NOS2 P35228 1/20 0.39
PLAU P00749 1/20 0.37
FGF23 Q9GZV9 1/20 0.36
METAP2 P50579 1/20 0.34
KDM4E B2RXH2 3/20 0.33
NPC1 O15118 3/20 0.33
RAB9A P51151 2/20 0.33
CYP2A6 P11509 1/20 0.33
RRM2 P31350 3/20 0.32
NCOA1 Q15788 1/20 0.32
NCOA3 Q9Y6Q9 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
MEN1 O00255 1/20 0.32
USP2 O75604 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
KMT2A Q03164 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
SCHEMBL23420036 0.79 CTH (0.51) CTHNOS3NOS1NOS2PLAU
SCHEMBL19003421 0.79 CTH (0.51) CTHNOS3NOS1NOS2PLAU
SCHEMBL31590419 0.78
SCHEMBL159686 0.78
SCHEMBL21645884 0.77 CTH (0.54) CTHNOS3NOS1NOS2PLAU
SCHEMBL21645883 0.77 CTH (0.54) CTHNOS3NOS1NOS2PLAU
Hydrochloric Acid SCHEMBL4624039 0.76 NOS3 (0.45) CTHNOS3NOS1NOS2PLAU
Iodide SCHEMBL27462160 0.76 CTH (0.53) CTHNOS3NOS1NOS2PLAU
SCHEMBL25742795 0.75 CTH (0.49) CTHNOS3NOS1NOS2PLAU
SCHEMBL21393779 0.75 KDM4E (0.36) FGF23KDM4ENPC1RAB9ASMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3339303-A1 ARYL AND HETEROARYL FUSED LACTAMS Pfizer Inc (US) 2018-06-27 EP disclosed