SCHEMBL4721273

SCHEMBL4721273

Nc1ccc(NCCO)c(Cl)c1-n1nc(-c2cc(Br)cc(-c3cnco3)c2)c2ccccc2c1=O

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.37
ALDH1A1 P00352 2/20 0.37
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37
KMT2A Q03164 2/20 0.33
GAA P10253 2/20 0.33
PKM P14618 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KDM4E B2RXH2 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 3/20 0.32
MEN1 O00255 1/20 0.31
CTDSP1 Q9GZU7 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL14102014 0.95 MAPT (0.38) MAPTALDH1A1LMNAPOLBKMT2A
SCHEMBL4724440 0.92 MAPT (0.38) MAPTALDH1A1LMNAPOLBKMT2A
SCHEMBL4722208 0.88 MAPT (0.47) MAPTALDH1A1LMNAPOLBKMT2A
SCHEMBL4723534 0.88 MAPT (0.39) MAPTALDH1A1LMNAPOLBKMT2A
SCHEMBL4723852 0.84 MAPT (0.48) MAPTALDH1A1LMNAPOLBKMT2A
SCHEMBL4722053 0.84 CTDSP1 (0.36) MAPTALDH1A1LMNAPOLBKMT2A
SCHEMBL4720984 0.81 ALDH1A1 (0.36) MAPTALDH1A1LMNAPOLBKMT2A
SCHEMBL4721931 0.79 MAPT (0.36) MAPTALDH1A1LMNAPOLBKMT2A
SCHEMBL4722543 0.78 MEN1 (0.43) MAPTALDH1A1LMNAKMT2AGAA
SCHEMBL4719649 0.77 MEN1 (0.40) MAPTALDH1A1LMNAPOLBKMT2A

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