SCHEMBL21028962

SCHEMBL21028962

Cc1cc(Br)cc(-n2c3ccc(Br)cc3c3cc(Br)ccc32)c1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.37
ALDH1A1 P00352 2/20 0.36
MAPK1 P28482 1/20 0.36
DNM1 Q05193 4/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HTT P42858 2/20 0.33
LMNA P02545 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
MCL1 Q07820 1/20 0.33
MAPK8 P45983 1/20 0.32
TSPO P30536 1/20 0.32
BAZ2B Q9UIF8 1/20 0.31
POLB P06746 1/20 0.31
HPGD P15428 1/20 0.31
ELANE P08246 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
SCHEMBL31092475 0.93 MAPT (0.39) MAPTALDH1A1MAPK1DNM1SMN1; SMN2
SCHEMBL13232712 0.89 ALDH1A1 (0.36) MAPTALDH1A1MAPK1DNM1HTT
SCHEMBL15025952 0.88 DNM1 (0.37) MAPTALDH1A1MAPK1DNM1SMN1; SMN2
SCHEMBL21029364 0.87 MAPT (0.42) MAPTALDH1A1MAPK1DNM1SMN1; SMN2
SCHEMBL356742 0.81 ALDH1A1 (0.44) MAPTALDH1A1MAPK1DNM1SMN1; SMN2
SCHEMBL12879724 0.81 GSR (0.34) MAPTALDH1A1DNM1SMN1; SMN2HTT
SCHEMBL2235932 0.81 ALDH1A1 (0.48) MAPTALDH1A1MAPK1HTTLMNA
SCHEMBL12635034 0.80 MAPT (0.41) MAPTALDH1A1DNM1SMN1; SMN2HTT
SCHEMBL4251581 0.80 DNM1 (0.39) MAPTALDH1A1MAPK1DNM1SMN1; SMN2
SCHEMBL15595161 0.79 L3MBTL1 (0.48) MAPTALDH1A1MAPK1DNM1HTT

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-3493286-A1 ORGANIC ELECTRONIC MATERIAL Hitachi Chemical Company, Ltd. (JP) 2019-06-05 EP disclosed
US-20190165293-A1 ORGANIC ELECTRONIC MATERIAL HITACHI CHEMICAL COMPANY, LTD. (JP) 2019-05-30 US disclosed