SCHEMBL21746010

SCHEMBL21746010

CN/C=C(/Br)C(=N)N1CCCCC1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.35
NPC1 O15118 2/20 0.31
MAPT P10636 2/20 0.31
RAB9A P51151 2/20 0.31
ALDH1A1 P00352 1/20 0.31
NFKB1 P19838 1/20 0.31
NFKB2 Q00653 1/20 0.31
KMT2A Q03164 1/20 0.31
RELA Q04206 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
GFER P55789 1/20 0.31

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
SCHEMBL21746015 0.98 F2 (0.32) F2
SCHEMBL21746006 0.94
SCHEMBL21746579 0.81 LMNA (0.35) NPC1MAPTRAB9AALDH1A1KMT2A
SCHEMBL21746799 0.80 ALDH1A1 (0.31) ALDH1A1
SCHEMBL21746009 0.73 BRD4 (0.33)
SCHEMBL21746671 0.72
SCHEMBL21746793 0.70
SCHEMBL12520054 0.65 F2 (0.39) F2ALDH1A1
SCHEMBL5028216 0.65
SCHEMBL14385218 0.64

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