SCHEMBL2011608

SCHEMBL2011608

Nc1ccc(Br)cc1Oc1ccccc1CCO

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 1/20 0.37
SLC6A4 P31645 3/20 0.36
SLC6A2 P23975 2/20 0.36
SLC6A3 Q01959 2/20 0.36
MAOA P21397 1/20 0.36
MAPT P10636 2/20 0.36
POLB P06746 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
LMNA P02545 2/20 0.34
HPGD P15428 1/20 0.34
HTT P42858 1/20 0.34
ATM Q13315 1/20 0.34
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
NPSR1 Q6W5P4 1/20 0.33
CHEK1 O14757 1/20 0.33
USP28 Q96RU2 1/20 0.33
USP25 Q9UHP3 1/20 0.33

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
SCHEMBL6236000 0.79 HRH1 (0.48) HRH1SLC6A4SLC6A2SLC6A3ALDH1A1
SCHEMBL2011752 0.77 NPC1 (0.42) MAPTMEN1KMT2AHPGDHTT
SCHEMBL8777076 0.74 HRH1 (0.50) HRH1SLC6A4SLC6A2SLC6A3TDP1
SCHEMBL10873734 0.73 SLC6A4 (0.66) SLC6A4SLC6A2SLC6A3ALDH1A1L3MBTL1
SCHEMBL11100370 0.73 HRH1 (0.44) HRH1SLC6A4SLC6A2SLC6A3KDM4E
SCHEMBL6264119 0.73 KDM4E (0.42) SLC6A4SLC6A2SLC6A3MAPTPOLB
Bromide SCHEMBL7930547 0.72 KDM4E (0.41) SLC6A4SLC6A2SLC6A3MAPTPOLB
SCHEMBL10873183 0.71 MEN1 (0.49) SLC6A4SLC6A2SLC6A3MAPTSMN1; SMN2
SCHEMBL7405866 0.71 SLC6A4 (0.50) HRH1SLC6A4MAOAMAPTPOLB
SCHEMBL2011606 0.71 P2RX3 (0.37) SLC6A4SLC6A2SLC6A3MAPTPOLB

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
WO-2011073273-A1 BENZOXAZINE ARYL SULFONAMIDE DERIVATIVES AS KV1.3 MODULATORS EVOTEC AG (DE) 2011-06-23 WO disclosed
WO-2011073276-A1 BENZOXAZINE ARYL SULFONAMIDE DERIVATIVES AS KV1.3 MODULATORS EVOTEC AG (DE) 2011-06-23 WO disclosed