SCHEMBL4720715

SCHEMBL4720715

O=c1c2ccccc2c(-c2cc(Br)cc(-c3cnco3)c2)nn1-c1cc(NCCO)ccc1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.46
ALDH1A1 P00352 5/20 0.46
LMNA P02545 3/20 0.46
POLB P06746 3/20 0.46
NPSR1 Q6W5P4 6/20 0.45
GAA P10253 2/20 0.45
HTT P42858 1/20 0.41
HTR6 P50406 1/20 0.41
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
AAK1 Q2M2I8 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
MAPK1 P28482 1/20 0.36
NPC1 O15118 1/20 0.35

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
SCHEMBL4722264 0.95 MAPT (0.47) MAPTALDH1A1LMNAPOLBNPSR1
SCHEMBL4720984 0.88 ALDH1A1 (0.36) MAPTALDH1A1LMNAPOLBNPSR1
SCHEMBL4722053 0.88 CTDSP1 (0.36) MAPTALDH1A1LMNAPOLBNPSR1
SCHEMBL4723562 0.86 MAPT (0.45) MAPTALDH1A1LMNAPOLBNPSR1
SCHEMBL4721402 0.85 MAPT (0.49) MAPTALDH1A1LMNAPOLBNPSR1
SCHEMBL4722208 0.85 MAPT (0.47) MAPTALDH1A1LMNAPOLBNPSR1
SCHEMBL4719402 0.85 MAPT (0.44) MAPTALDH1A1LMNAPOLBNPSR1
SCHEMBL4722686 0.85 NPSR1 (0.65) MAPTALDH1A1LMNAPOLBNPSR1
SCHEMBL4720458 0.84 MAPT (0.36) MAPTALDH1A1LMNAPOLBNPSR1
SCHEMBL4721931 0.84 MAPT (0.36) 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