SCHEMBL22743544

SCHEMBL22743544

NC1=Nc2cc(Br)ccc2C2CC12

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 13/20 0.53
NOS3 P29474 11/20 0.53
NOS2 P35228 11/20 0.53
KDM1A O60341 7/20 0.42
KDM1B Q8NB78 1/20 0.42

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
SCHEMBL6643954 0.83 NOS1 (0.77) NOS1NOS3NOS2
SCHEMBL22742883 0.81 NOS1 (0.71) NOS1NOS3NOS2
SCHEMBL13370534 0.77 NOS1 (0.47) NOS1NOS3NOS2
SCHEMBL22717048 0.70 NOS1 (0.40) NOS1NOS3NOS2
SCHEMBL22716960 0.70 NOS1 (0.40) NOS1NOS3NOS2
SCHEMBL22742306 0.67 NOS1 (0.88) NOS1NOS3NOS2
SCHEMBL19698537 0.67 NOS3 (0.36) NOS1NOS3NOS2KDM1AKDM1B
SCHEMBL6644542 0.67 NOS1 (0.71) NOS1NOS3NOS2
SCHEMBL6645211 0.65 NOS1 (1.00) NOS1NOS3NOS2
SCHEMBL6642292 0.65 NOS1 (0.77) NOS1NOS3NOS2

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
WO-2020243178-A1 HETEROCYCLIC COMPOUNDS AS PRMT5 INHIBITORS ANGEX PHARMACEUTICAL, INC. (US) 2020-12-03 WO disclosed