SCHEMBL21747552

SCHEMBL21747552

C[N+](C)(Cc1ccccc1)c1ccccc1.[SbH3]

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.56
ALDH1A1 P00352 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
APOBEC3A P31941 1/20 0.44
APOBEC3G Q9HC16 1/20 0.44
DNM1 Q05193 2/20 0.42
MEN1 O00255 2/20 0.41
TP53 P04637 2/20 0.41
KMT2A Q03164 2/20 0.41
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ACHE P22303 4/20 0.40
HTT P42858 2/20 0.40
CALM1 P0DP23 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
Fluoride Ion SCHEMBL124320 0.98 KDM4E (0.54) KDM4EALDH1A1TDP1APOBEC3AAPOBEC3G
SCHEMBL565108 0.98 KDM4E (0.58) KDM4EALDH1A1TDP1APOBEC3AAPOBEC3G
Fluoride SCHEMBL28344247 0.95 KDM4E (0.56) KDM4EALDH1A1TDP1APOBEC3AAPOBEC3G
Ammonia Solution, Strong SCHEMBL28850907 0.95 KDM4E (0.56) KDM4EALDH1A1TDP1APOBEC3AAPOBEC3G
Water SCHEMBL28001864 0.95 KDM4E (0.56) KDM4EALDH1A1TDP1APOBEC3AAPOBEC3G
Water SCHEMBL9684775 0.95 KDM4E (0.56) KDM4EALDH1A1TDP1APOBEC3AAPOBEC3G
Bromide SCHEMBL6122965 0.95 KDM4E (0.56) KDM4EALDH1A1TDP1APOBEC3AAPOBEC3G
Iodide SCHEMBL22188504 0.95 KDM4E (0.56) KDM4EALDH1A1TDP1APOBEC3AAPOBEC3G
Hydrochloric Acid SCHEMBL1559083 0.95 KDM4E (0.62) KDM4EALDH1A1TDP1APOBEC3AAPOBEC3G
Hydrochloric Acid SCHEMBL28191207 0.95 KDM4E (0.56) KDM4EALDH1A1TDP1APOBEC3AAPOBEC3G

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-3613789-A1 COMPOSITION FOR SEALING ORGANIC ELECTRONIC ELEMENT LG Chem, Ltd. (KR) 2020-02-26 EP disclosed