SCHEMBL11879601

SCHEMBL11879601

C=Cn1c2ccc(C)cc2c2cc(Br)ccc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 4/20 0.37
MAPT P10636 3/20 0.36
ALDH1A1 P00352 3/20 0.35
MAPK1 P28482 1/20 0.35
ELANE P08246 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PIK3CD O00329 1/20 0.35
PIK3CA P42336 1/20 0.35
PIK3CB P42338 1/20 0.35
PIK3CG P48736 1/20 0.35
KRAS P01116 1/20 0.33
LMNA P02545 2/20 0.32
HTT P42858 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
HTR6 P50406 1/20 0.32
KMT2A Q03164 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
CSNK2A2 P19784 1/20 0.32
CSNK2B P67870 1/20 0.32
CSNK2A1 P68400 1/20 0.32

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
SCHEMBL4987809 0.89 MAPT (0.40) MAPTMAPK1SMN1; SMN2LMNAHTT
SCHEMBL29716680 0.89 MAPT (0.42) DNM1MAPTALDH1A1MAPK1SMN1; SMN2
SCHEMBL304192 0.89 MAPT (0.42) DNM1MAPTALDH1A1MAPK1SMN1; SMN2
SCHEMBL11066802 0.82 MAPT (0.38) DNM1MAPTALDH1A1SMN1; SMN2KRAS
SCHEMBL10953856 0.81 TSPO (0.43) DNM1MAPTALDH1A1MAPK1KRAS
SCHEMBL4985558 0.81 MAPT (0.41) MAPTALDH1A1MAPK1LMNAHTT
SCHEMBL11882023 0.80 MEN1 (0.45) MAPTALDH1A1ELANEHTTHTR6
SCHEMBL11647864 0.79 MAPT (0.36) DNM1MAPTSMN1; SMN2KRAS
SCHEMBL11649538 0.79 DNM1 (0.37) DNM1MAPTMAPK1SMN1; SMN2KRAS
SCHEMBL5532447 0.78 ACHE (0.47) DNM1MAPTALDH1A1MAPK1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3982935-A CYANINE DYE BASE ITEK CORPORATION (US) 1976-09-28 US disclosed