SCHEMBL4722264

SCHEMBL4722264

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

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.47
NPSR1 Q6W5P4 6/20 0.44
LMNA P02545 3/20 0.44
GAA P10253 2/20 0.44
ALDH1A1 P00352 5/20 0.41
POLB P06746 3/20 0.41
HTT P42858 1/20 0.40
HTR6 P50406 1/20 0.40
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
AAK1 Q2M2I8 1/20 0.38
MAPK1 P28482 1/20 0.37
NPC1 O15118 1/20 0.34

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
SCHEMBL4720715 0.95 MAPT (0.46) MAPTNPSR1LMNAGAAALDH1A1
SCHEMBL4721931 0.89 MAPT (0.36) MAPTNPSR1LMNAGAAALDH1A1
SCHEMBL4720458 0.89 MAPT (0.36) MAPTNPSR1LMNAGAAALDH1A1
SCHEMBL14101727 0.87 MAPT (0.36) MAPTLMNAALDH1A1POLBMEN1
SCHEMBL4719402 0.87 MAPT (0.44) MAPTNPSR1LMNAGAAALDH1A1
SCHEMBL4723852 0.86 MAPT (0.48) MAPTNPSR1LMNAGAAALDH1A1
SCHEMBL4722279 0.85 MAPT (0.41) MAPTNPSR1LMNAGAAALDH1A1
SCHEMBL4723976 0.85 MAPT (0.41) MAPTNPSR1LMNAGAAALDH1A1
SCHEMBL4723562 0.85 MAPT (0.45) MAPTNPSR1LMNAGAAALDH1A1
SCHEMBL4722482 0.84 MAPT (0.40) MAPTNPSR1LMNAGAAALDH1A1

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