SCHEMBL4723852

SCHEMBL4723852

O=c1c2ccccc2c(-c2cc(Br)cc(-c3cnco3)c2)nn1-c1c([N+](=O)[O-])ccc(NCCCO)c1Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 12/20 0.48
ALDH1A1 P00352 6/20 0.42
LMNA P02545 4/20 0.42
POLB P06746 2/20 0.42
NPSR1 Q6W5P4 5/20 0.39
GAA P10253 2/20 0.39
AAK1 Q2M2I8 1/20 0.38
KMT2A Q03164 5/20 0.36
MEN1 O00255 4/20 0.36
NPC1 O15118 2/20 0.34
RAD52 P43351 1/20 0.34
HTT P42858 2/20 0.32
HTR6 P50406 1/20 0.32
GSTM2 P28161 1/20 0.32
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
KDM4E B2RXH2 1/20 0.31
PKM P14618 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL4722208 0.96 MAPT (0.47) MAPTALDH1A1LMNAPOLBNPSR1
SCHEMBL4723534 0.90 MAPT (0.39) MAPTALDH1A1LMNAPOLBNPSR1
SCHEMBL14102014 0.89 MAPT (0.38) MAPTALDH1A1LMNAPOLBNPSR1
SCHEMBL4722264 0.86 MAPT (0.47) MAPTALDH1A1LMNAPOLBNPSR1
SCHEMBL4724440 0.85 MAPT (0.38) MAPTALDH1A1LMNAPOLBNPSR1
SCHEMBL4721273 0.84 MAPT (0.37) MAPTALDH1A1LMNAPOLBNPSR1
SCHEMBL4720715 0.81 MAPT (0.46) MAPTALDH1A1LMNAPOLBNPSR1
SCHEMBL4720458 0.79 MAPT (0.36) MAPTALDH1A1LMNAPOLBNPSR1
SCHEMBL4719402 0.79 MAPT (0.44) MAPTALDH1A1LMNAPOLBNPSR1
SCHEMBL4722686 0.78 NPSR1 (0.65) MAPTALDH1A1LMNAPOLBNPSR1

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