SCHEMBL9246793

SCHEMBL9246793

Nc1cccc(Oc2cccc([S+]([O-])c3cccc(Oc4cccc(N)c4)c3)c2)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.60
ALDH1A1 P00352 4/20 0.50
MAPT P10636 3/20 0.49
POLB P06746 1/20 0.49
HSP90AA1 P07900 1/20 0.49
CYP3A4 P08684 3/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MITF O75030 1/20 0.47
GAA P10253 1/20 0.47
GFER P55789 1/20 0.47
NLRP1 Q9C000 1/20 0.47
NOD2 Q9HC29 1/20 0.47
ATM Q13315 1/20 0.45
TP53 P04637 1/20 0.43
LTA4H P09960 1/20 0.40
CASP1 P29466 1/20 0.39
RECQL P46063 1/20 0.39
CHEK1 O14757 1/20 0.38

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
SCHEMBL8436142 0.87 ALDH1A1 (0.66) MAOBALDH1A1MAPTPOLBCYP3A4
SCHEMBL309708 0.87 MAOB (0.63) MAOBALDH1A1MAPTPOLBHSP90AA1
SCHEMBL11379800 0.82 LTA4H (0.50) MAOBALDH1A1MAPTMEN1KMT2A
SCHEMBL143288 0.82 CYP3A4 (0.52) MAOBALDH1A1MAPTCYP3A4MEN1
SCHEMBL29414092 0.82 MAOB (0.86) MAOBALDH1A1MAPTPOLBHSP90AA1
SCHEMBL55303 0.82 MAOB (0.86) MAOBALDH1A1MAPTPOLBHSP90AA1
SCHEMBL30107929 0.82 MAOB (0.86) MAOBALDH1A1MAPTPOLBHSP90AA1
SCHEMBL84301 0.80 MAOB (0.82) MAOBALDH1A1MAPTPOLBHSP90AA1
SCHEMBL6289536 0.80 MAOB (0.82) MAOBALDH1A1MAPTPOLBHSP90AA1
SCHEMBL6289774 0.80 MAOB (0.82) MAOBALDH1A1MAPTPOLBHSP90AA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9735429-B2 Lithium ion secondary battery HITACHI, LTD. (JP) 2017-08-15 US disclosed
EP-2858150-B1 LITHIUM ION SECONDARY BATTERY HITACHI LTD (JP) 2017-03-15 EP disclosed
US-20150155563-A1 LITHIUM ION SECONDARY BATTERY HITACHI, LTD., (JP) 2015-06-04 US disclosed
EP-2858150-A1 LITHIUM ION SECONDARY BATTERY Hitachi, Ltd. (JP) 2015-04-08 EP disclosed
EP-0661347-A1 Polyimide resin composition having excellent fatigue resistance and injection molded article of same MITSUI TOATSU CHEMICALS, Inc. (JP) 1995-07-05 EP disclosed