SCHEMBL6199288

SCHEMBL6199288

Cn1ncc(Br)c1-c1cccc(NN(C=O)c2ccccc2[N+](=O)[O-])c1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 7/20 0.45
PKM P14618 1/20 0.36
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
HTR2C P28335 5/20 0.34
TDP1 Q9NUW8 1/20 0.32
RAB9A P51151 2/20 0.31
MAPT P10636 2/20 0.31
NPC1 O15118 1/20 0.31
RECQL P46063 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
LMNA P02545 1/20 0.31
KDM4E B2RXH2 1/20 0.31
EGFR P00533 1/20 0.31
GAA P10253 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL6199754 0.85 HTR2A (0.48) HTR2AHTR2C
SCHEMBL6198379 0.84 HTR2A (0.53) HTR2AHTR2CMAPT
SCHEMBL6201224 0.84 HTR2A (0.48) HTR2AHTR2CSMN1; SMN2GAA
SCHEMBL2953420 0.82 L3MBTL1 (0.44) PKMMEN1KMT2ATDP1RAB9A
SCHEMBL6199858 0.82 HTR2A (0.46) HTR2AMEN1KMT2AHTR2C
SCHEMBL5946836 0.79 HTR2A (0.50) HTR2APKMMEN1KMT2ATDP1
SCHEMBL6196599 0.77 HTR2A (0.48) HTR2AKMT2AHTR2CSMN1; SMN2GAA
SCHEMBL6198174 0.77 HTR2A (0.48) HTR2AHTR2CSMN1; SMN2LMNAKDM4E
SCHEMBL6199008 0.77 HTR2A (0.50) HTR2AMEN1KMT2AHTR2CRAB9A
SCHEMBL6198264 0.77 HTR2A (0.55) HTR2AMEN1KMT2AHTR2CMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1509505-A2 SMALL MOLECULE MODULATORS OF THE 5−HT2A SEROTONIN RECEPTOR USEFUL FOR THE PROPHYLAXIS AND TREATMENT OF DISORDERS RELATED THERETO Arena Pharmaceuticals, Inc. (US) 2005-03-02 EP claimed
WO-2003062206-A2 SMALL MOLECULE MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE PROPHYLAXIS AND TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2003-07-31 WO claimed