SCHEMBL8436142

SCHEMBL8436142

Nc1ccc(Oc2cccc([S+]([O-])c3cccc(Oc4ccc(N)cc4)c3)c2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.66
MAPT P10636 5/20 0.66
MEN1 O00255 4/20 0.66
KMT2A Q03164 4/20 0.66
SMN1; SMN2 Q16637 3/20 0.66
MITF O75030 1/20 0.66
GAA P10253 1/20 0.66
GFER P55789 1/20 0.66
NLRP1 Q9C000 1/20 0.66
NOD2 Q9HC29 1/20 0.66
MAOA P21397 2/20 0.53
TDP1 Q9NUW8 2/20 0.50
CYP3A4 P08684 1/20 0.50
TSHR P16473 1/20 0.50
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
NLRP3 Q96P20 1/20 0.49
MAOB P27338 2/20 0.48
LMNA P02545 1/20 0.43
GPR55 Q9Y2T6 1/20 0.43

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
SCHEMBL9246793 0.87 MAOB (0.60) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL11379800 0.85 LTA4H (0.50) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL309708 0.82 MAOB (0.63) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL893940 0.81 ALDH1A1 (0.64) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL6290330 0.80 ALDH1A1 (1.00) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL22289568 0.80 ALDH1A1 (1.00) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL1271678 0.80 ALDH1A1 (1.00) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL4092959 0.80 ALDH1A1 (1.00) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL1270594 0.80 ALDH1A1 (1.00) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL6290623 0.80 ALDH1A1 (1.00) ALDH1A1MAPTMEN1KMT2ASMN1; 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 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
US-5981041-A NO OXIDATION TREATMENT; FOR CAMERAS, FACSIMILE MACHINES, COPY MACHINES, COMPUTERS SUMITOMO BAKELITE COMPANY LIMITED (JP) 1999-11-09 US disclosed