SCHEMBL4722053

SCHEMBL4722053

Nc1ccc(NCCO)cc1-n1nc(-c2cc(Br)cc(-c3cnco3)c2)c2ccccc2c1=O

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTDSP1 Q9GZU7 1/20 0.36
MAPT P10636 6/20 0.35
ALDH1A1 P00352 3/20 0.35
LMNA P02545 3/20 0.35
POLB P06746 2/20 0.35
GAA P10253 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
NAMPT P43490 1/20 0.33
MAPK1 P28482 2/20 0.33
HTT P42858 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
NPSR1 Q6W5P4 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
KDM4E B2RXH2 1/20 0.31
NPC1 O15118 1/20 0.31
PKM P14618 1/20 0.31
RAB9A P51151 1/20 0.31
USP2 O75604 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
SCHEMBL4721931 0.95 MAPT (0.36) CTDSP1MAPTALDH1A1LMNAPOLB
SCHEMBL4720984 0.91 ALDH1A1 (0.36) MAPTALDH1A1LMNAPOLBGAA
SCHEMBL4720715 0.88 MAPT (0.46) MAPTALDH1A1LMNAPOLBGAA
SCHEMBL4720458 0.86 MAPT (0.36) MAPTALDH1A1LMNAPOLBGAA
SCHEMBL4719136 0.86 MAPT (0.37) MAPTALDH1A1LMNAPOLBSMN1; SMN2
SCHEMBL14101727 0.85 MAPT (0.36) MAPTALDH1A1LMNAPOLBMEN1
SCHEMBL4722264 0.84 MAPT (0.47) MAPTALDH1A1LMNAPOLBGAA
SCHEMBL4721273 0.84 MAPT (0.37) CTDSP1MAPTALDH1A1LMNAPOLB
SCHEMBL4719649 0.84 MEN1 (0.40) CTDSP1MAPTALDH1A1LMNAPOLB
SCHEMBL4721816 0.81 MAPT (0.38) MAPTALDH1A1LMNAPOLBSMN1; SMN2

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-1953147-A1 HETEROCYCLIC COMPOUND AND MEDICINAL APPLICATION THEREOF Japan Tobacco, Inc. (JP) 2008-08-06 EP disclosed