SCHEMBL3739490

SCHEMBL3739490

Cc1ccc(N)cc1.Cc1ccc(N)cc1.O=P(O)(O)Oc1c[nH]c2ccc(Br)c(Cl)c12

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.36
HTR1A P08908 1/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36
MEN1 O00255 2/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPT P10636 2/20 0.33
HPGD P15428 2/20 0.33
KMT2A Q03164 2/20 0.33
ALOX12 P18054 1/20 0.33
GAA P10253 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
ACHE P22303 1/20 0.30

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
SCHEMBL3263365 1.00 HTR2A (0.36) HTR2AHTR1AHTR2CHTR2BMEN1
SCHEMBL1474652 1.00 HTR2A (0.36) HTR2AHTR1AHTR2CHTR2BMEN1
SCHEMBL6271247 0.99 HTR2A (0.35) HTR2AHTR1AHTR2CHTR2BMEN1
Tetrazole SCHEMBL5145009 0.90 HTR2A (0.31) HTR2AHTR1AHTR2CHTR2B
SCHEMBL6271251 0.88 MEN1 (0.31) MEN1ALDH1A1MAPTHPGDKMT2A
SCHEMBL29082484 0.88 HTR2A (0.34) HTR2AHTR1AHTR2CHTR2BMEN1
SCHEMBL23488 0.88 HTR2A (0.40) HTR2AHTR1AHTR2CHTR2BALDH1A1
SCHEMBL29356973 0.88 HTR2A (0.40) HTR2AHTR1AHTR2CHTR2BALDH1A1
Phosphoric Acid SCHEMBL8156858 0.86 HTR2A (0.40) HTR2AHTR1AHTR2CHTR2BALDH1A1
Ammonia Solution, Strong SCHEMBL20492883 0.86 HTR2A (0.40) HTR2AHTR1AHTR2CHTR2BALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7833740-B2 Test system for detecting salmonella TGC BIOMICS GMBH (DE) 2010-11-16 US disclosed
US-20070031906-A1 TEST SYSTEM FOR DETECTING SALMONELLA TGC BIOMICS GMBH (DE) 2007-02-08 US disclosed
US-20030165485-A1 Functional role and potential therapeutic use of Reelin, Gas6 and Protein S in relation to adult neural stem or progenitor cells NEUROVOVA AB (SE) 2003-09-04 US disclosed
WO-2003039575-A2 USE OF REELIN, GAS6, AND PROTEIN S IN THE TREATMENT OF NEURAL DISORDERS NEURONOVA AB (SE) 2003-05-15 WO disclosed