SCHEMBL2011606

SCHEMBL2011606

CC(O)c1ccccc1Oc1cc(Br)ccc1N

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 1/20 0.37
P2RX2 Q9UBL9 1/20 0.37
MAPT P10636 3/20 0.36
POLB P06746 1/20 0.36
LPAR1 Q92633 1/20 0.34
ALDH1A1 P00352 4/20 0.34
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
HPGD P15428 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
ATM Q13315 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TDP1 Q9NUW8 2/20 0.33
ADRA2B P18089 1/20 0.33
PTGS1 P23219 1/20 0.33
MAPK1 P28482 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
SLC6A2 P23975 2/20 0.33
SLC6A4 P31645 2/20 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
SCHEMBL4440523 0.79 P2RX3 (0.42) P2RX3P2RX2ALDH1A1LMNAKMT2A
SCHEMBL2011750 0.77 L3MBTL1 (0.43) MAPTPOLBALDH1A1MEN1LMNA
SCHEMBL10873729 0.75 SLC6A4 (0.52) P2RX3P2RX2ALDH1A1L3MBTL1SLC6A2
SCHEMBL6264176 0.74 PTPRC (0.40) MAPTPOLBALDH1A1MEN1HTT
SCHEMBL3984863 0.73 KDM4E (0.42) MAPTPOLBALDH1A1MEN1HTT
SCHEMBL10873178 0.72 ADRA2A (0.52) P2RX3P2RX2MAPTALDH1A1MEN1
SCHEMBL10872553 0.71 P2RX3 (0.39) P2RX3P2RX2MEN1KMT2AATM
SCHEMBL10874957 0.71 ALDH1A1 (0.40) P2RX3P2RX2LPAR1ALDH1A1MEN1
SCHEMBL7405866 0.71 SLC6A4 (0.50) MAPTPOLBALDH1A1MEN1KMT2A
SCHEMBL16564328 0.71 LPAR1 (0.43) LPAR1LMNATDP1GAAKDM4E

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