SCHEMBL24254414

SCHEMBL24254414

N/C(=N\O)c1ccc(C2OCCO2)c(Br)c1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 10/20 0.37
RECQL P46063 1/20 0.36
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
MAPK1 P28482 1/20 0.34
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
GFER P55789 2/20 0.33
POLB P06746 2/20 0.33
USP2 O75604 1/20 0.33
MAPT P10636 1/20 0.32
PKM P14618 1/20 0.32
LMNA P02545 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL29399747 1.00 KDM1A (0.37) KDM1ARECQLKMT2AMEN1MAPK1
SCHEMBL2776208 0.75 PARP1 (0.44) KDM1ARECQLKMT2AMEN1MAPK1
SCHEMBL2789007 0.75 PARP1 (0.44) KDM1ARECQLKMT2AMEN1MAPK1
SCHEMBL1334373 0.74 KMT2A (0.45) KDM1ARECQLKMT2AMEN1MAPK1
SCHEMBL1334368 0.74 KMT2A (0.45) KDM1ARECQLKMT2AMEN1MAPK1
SCHEMBL12704005 0.70 ALDH1A1 (0.36) RECQLKMT2APOLBMAPTLMNA
SCHEMBL3415625 0.68 KDM1A (0.45) KDM1ARECQLKMT2ARAB9AGFER
SCHEMBL31725635 0.68 KDM1A (0.34) KDM1AKMT2AMEN1MAPTPKM
SCHEMBL8221010 0.68 KDM1A (0.45) KDM1ARECQLKMT2ARAB9AGFER
SCHEMBL31725748 0.68 MAP3K14 (0.39) NPC1RAB9AUSP2MAPTLMNA

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-2022035763-A1 BORON CONTAINING COMPOUNDS AND THEIR USES 5METIS, INC. (US) 2022-02-17 WO disclosed