SCHEMBL29923749

SCHEMBL29923749

CC1=NC(c2cnn(C(F)(F)F)c2)Cc2ccccc21

nearest known ligand 0.39

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 9/20 0.39
NOS2 P35228 6/20 0.39

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
SCHEMBL29923587 0.72 TSHR (0.43)
SCHEMBL638089 0.68 NOS3 (0.41) NOS3NOS2
SCHEMBL27925929 0.65 NOS3 (0.44) NOS3NOS2
SCHEMBL28164450 0.64 NOS3 (0.42) NOS3NOS2
SCHEMBL10481212 0.63 NOS3 (0.65) NOS3NOS2
SCHEMBL28145898 0.62 NOS3 (0.44) NOS3NOS2
SCHEMBL28270244 0.62 NOS3 (0.44) NOS3NOS2
SCHEMBL27585881 0.62 NOS3 (0.49) NOS3NOS2
SCHEMBL3810268 0.62 NOS3 (0.44) NOS3NOS2
SCHEMBL29923555 0.61 BCAT2 (0.48)

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-4055013-A1 WDR5 INHIBITORS AND MODULATORS Vanderbilt University (US) 2022-09-14 EP disclosed