SCHEMBL7362839

SCHEMBL7362839

[NH]CCOc1ccc2ccccc2c1Br

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.50
MAPK1 P28482 2/20 0.50
RAB9A P51151 4/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
HPGD P15428 1/20 0.49
RXFP1 Q9HBX9 3/20 0.48
PRNP P04156 3/20 0.48
ALDH1A1 P00352 3/20 0.48
LMNA P02545 1/20 0.47
KMT2A Q03164 3/20 0.46
POLB P06746 2/20 0.46
MEN1 O00255 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
TP53 P04637 1/20 0.46
CASP1 P29466 1/20 0.46
CASP7 P55210 1/20 0.46
TSHR P16473 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46

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
SCHEMBL4736696 0.84 MAPT (0.51) MAPTMAPK1RAB9AL3MBTL1SMN1; SMN2
SCHEMBL7362843 0.83 HTR1B (0.64) MAPTMAPK1RAB9AL3MBTL1SMN1; SMN2
SCHEMBL12370653 0.83 MAPT (0.50) MAPTMAPK1RAB9AL3MBTL1SMN1; SMN2
Hydrochloric Acid SCHEMBL7360142 0.81 HTR1B (0.62) MAPTMAPK1RAB9AL3MBTL1SMN1; SMN2
SCHEMBL14393504 0.81 GAA (0.61) MAPTMAPK1RAB9AL3MBTL1SMN1; SMN2
SCHEMBL12370651 0.80 MAPT (0.48) MAPTMAPK1RAB9AL3MBTL1SMN1; SMN2
SCHEMBL7362748 0.79 RAB9A (0.51) MAPTMAPK1RAB9AL3MBTL1SMN1; SMN2
SCHEMBL12745123 0.78 MAPT (0.58) MAPTMAPK1RAB9AL3MBTL1SMN1; SMN2
SCHEMBL23515218 0.76 HTR1B (0.57) MAPTMAPK1RAB9ASMN1; SMN2HPGD
SCHEMBL29625729 0.76 HTR1B (0.57) MAPTMAPK1RAB9ASMN1; SMN2HPGD

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6307090-B1 OXALYL ENDCAPPED; CONTAINING A BIVALENT RADICAL OF PHOSPHOTYROSINE OR A PHOSPHOTYROSINE MIMETIC THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES 2001-10-23 US disclosed
EP-0846127-A1 ACYLATED OLIGOPEPTIDE DERIVATIVES HAVING CELL SIGNAL INHIBITING ACTIVITY Novartis AG (CH) 1998-06-10 EP disclosed
WO-1997008193-A1 ACYLATED OLIGOPEPTIDE DERIVATIVES HAVING CELL SIGNAL INHIBITING ACTIVITY NOVARTIS AG (CH) 1997-03-06 WO disclosed