SCHEMBL24329691

SCHEMBL24329691

C/N=C(\C)c1ccc(Br)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.47
KMT2A Q03164 5/20 0.47
MAPT P10636 3/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
ALDH1A1 P00352 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
NPC1 O15118 3/20 0.46
CYP1A2 P05177 2/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2C19 P33261 2/20 0.46
RAB9A P51151 2/20 0.46
NFKB1 P19838 1/20 0.46
CASP3 P42574 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
SENP6 Q9GZR1 1/20 0.46
GAA P10253 3/20 0.44
CES2 O00748 1/20 0.44

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
SCHEMBL14274487 0.87 FURIN (0.48) MEN1KMT2AMAPTL3MBTL1CYP1A2
SCHEMBL4140208 0.80 CA9 (0.50) MEN1KMT2AMAPTL3MBTL1ALDH1A1
SCHEMBL4140209 0.80 CA9 (0.50) MEN1KMT2AMAPTL3MBTL1ALDH1A1
SCHEMBL6053302 0.78 MAPT (0.50) MEN1KMT2AMAPTL3MBTL1ALDH1A1
SCHEMBL5415127 0.78 MAPT (0.50) MEN1KMT2AMAPTL3MBTL1ALDH1A1
SCHEMBL11947946 0.77 ALDH1A1 (0.46) MEN1KMT2AMAPTL3MBTL1ALDH1A1
SCHEMBL11961836 0.77 ALDH1A1 (0.46) MEN1KMT2AMAPTL3MBTL1ALDH1A1
SCHEMBL7937999 0.75 SMN1; SMN2 (0.55) MEN1KMT2AMAPTL3MBTL1ALDH1A1
SCHEMBL22431622 0.75 FURIN (0.39) MEN1KMT2AL3MBTL1CASP3SMN1; SMN2
SCHEMBL23837607 0.75 SMN1; SMN2 (0.55) MEN1KMT2AMAPTL3MBTL1ALDH1A1

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-3981762-A1 NITROGEN-CONTAINING COMPOUND, ELECTRONIC ELEMENT, AND ELECTRONIC DEVICE Shaanxi Lighte Optoelectronics Material Co., Ltd. (CN) 2022-04-13 EP disclosed