SCHEMBL20955906

SCHEMBL20955906

CCCC[N+]1(C)CCCC1.CCCC[N+]1(C)CCCC1.[S-2]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BBOX1 O75936 2/20 0.50
KDM4E B2RXH2 1/20 0.43
LMNA P02545 5/20 0.40
APOBEC3A P31941 2/20 0.40
APOBEC3G Q9HC16 2/20 0.40
KMT2A Q03164 2/20 0.40
TSHR P16473 2/20 0.40
CYP3A4 P08684 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
BLM P54132 1/20 0.40
PMP22 Q01453 1/20 0.40
GNAI3 P08754 1/20 0.40
GNAO1 P09471 1/20 0.40
GNAI1 P63096 1/20 0.40
CHRM2 P08172 1/20 0.37
CHRM4 P08173 1/20 0.37
CHRM5 P08912 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 1/20 0.37
CTDSP1 Q9GZU7 1/20 0.36

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
SCHEMBL16735125 1.00 BBOX1 (0.50) BBOX1KDM4ELMNAAPOBEC3AAPOBEC3G
SCHEMBL34829 0.97 BBOX1 (0.52) BBOX1KDM4ELMNAAPOBEC3AAPOBEC3G
Water SCHEMBL14860350 0.95 BBOX1 (0.50) BBOX1KDM4ELMNAAPOBEC3AAPOBEC3G
Ammonia Solution, Strong SCHEMBL14645122 0.95 BBOX1 (0.50) BBOX1KDM4ELMNAAPOBEC3AAPOBEC3G
Bromide SCHEMBL31685704 0.95 BBOX1 (0.50) BBOX1KDM4ELMNAAPOBEC3AAPOBEC3G
Iodide SCHEMBL902544 0.95 BBOX1 (0.50) BBOX1KDM4ELMNAAPOBEC3AAPOBEC3G
SCHEMBL320814 0.95 BBOX1 (0.50) BBOX1KDM4ELMNAAPOBEC3AAPOBEC3G
SCHEMBL205619 0.95 BBOX1 (0.50) BBOX1KDM4ELMNAAPOBEC3AAPOBEC3G
Bromide SCHEMBL1534056 0.95 BBOX1 (0.50) BBOX1KDM4ELMNAAPOBEC3AAPOBEC3G
Hydrochloric Acid SCHEMBL28821570 0.95 BBOX1 (0.54) BBOX1KDM4ELMNAAPOBEC3AAPOBEC3G

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
EP-3480881-A1 ELECTROLYTE BASED ON SULFUR/POLYSULFUR FOR LITHIUM/SULFUR BATTERIES Fundación Cidetec (ES) 2019-05-08 EP disclosed