SCHEMBL21746750

SCHEMBL21746750

CN/C=C\C(=N)N1CCC(=O)N(C)CC1

nearest known ligand 0.36

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.36
BRD2 P25440 1/20 0.36

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
SCHEMBL21746009 0.75 BRD4 (0.33) BRD4BRD2
SCHEMBL21746688 0.72 F2 (0.31)
SCHEMBL21746796 0.72 F2 (0.36)
SCHEMBL12520054 0.70 F2 (0.39)
SCHEMBL21746003 0.67 LMNA (0.38)
SCHEMBL13271713 0.65 NPSR1 (0.38)
SCHEMBL14846914 0.65 NAAA (0.36)
SCHEMBL17433520 0.64 BRD4 (0.68) BRD4BRD2
SCHEMBL17433536 0.64 BRD4 (0.68) BRD4BRD2
SCHEMBL29033709 0.64 P2RX7 (0.42) BRD4BRD2

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-2944637-B1 NITROGEN-CONTAINING HETEROCYLIC COMPOUND OR SALT THEREOF FUJIFILM CORP (JP) 2020-02-19 EP disclosed