SCHEMBL14102014

SCHEMBL14102014

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

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.38
ALDH1A1 P00352 4/20 0.33
LMNA P02545 2/20 0.33
POLB P06746 1/20 0.33
KDM4E B2RXH2 2/20 0.32
HTT P42858 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
NPC1 O15118 1/20 0.32
PKM P14618 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CYP1A2 P05177 1/20 0.32
GAA P10253 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
CTDSP1 Q9GZU7 1/20 0.32

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
SCHEMBL4721273 0.95 MAPT (0.37) MAPTALDH1A1LMNAPOLBKDM4E
SCHEMBL4723534 0.93 MAPT (0.39) MAPTALDH1A1LMNAPOLBKDM4E
SCHEMBL4723852 0.89 MAPT (0.48) MAPTALDH1A1LMNAPOLBKDM4E
SCHEMBL4724440 0.88 MAPT (0.38) MAPTALDH1A1LMNAPOLBKDM4E
SCHEMBL4721931 0.84 MAPT (0.36) MAPTALDH1A1LMNAPOLBHTT
SCHEMBL4722208 0.84 MAPT (0.47) MAPTALDH1A1LMNAPOLBKDM4E
SCHEMBL4720458 0.81 MAPT (0.36) MAPTALDH1A1LMNAPOLBKDM4E
SCHEMBL4722053 0.79 CTDSP1 (0.36) MAPTALDH1A1LMNAPOLBKDM4E
SCHEMBL4722543 0.77 MEN1 (0.43) MAPTALDH1A1LMNAKDM4EHTT
SCHEMBL14101727 0.77 MAPT (0.36) MAPTALDH1A1LMNAPOLBMEN1

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