SCHEMBL28049295

SCHEMBL28049295

N#CC(F)Cc1cc[c]cc1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 4/20 0.33
ESR2 Q92731 4/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL1031318 0.77
SCHEMBL28049245 0.76
SCHEMBL3883062 0.74 TSHR (0.43) ESR1ESR2MEN1ALDH1A1CYP1A2
SCHEMBL10704730 0.73
SCHEMBL17133816 0.73
SCHEMBL1028220 0.73 TAAR1 (0.33) ESR1ESR2MEN1KMT2A
SCHEMBL1031932 0.73 TAAR1 (0.33) ESR1ESR2MEN1KMT2A
SCHEMBL1028722 0.73 TAAR1 (0.33) ESR1ESR2MEN1KMT2A
SCHEMBL16239833 0.71
SCHEMBL28049293 0.68

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105261789-B electrolyte and lithium ion battery including the electrolyte 宁德新能源科技有限公司 2018-07-27 CN disclosed
CN-105261789-A Electrolyte and lithium ion battery including same NINGDE AMPEREX TECHNOLOGY LTD 2016-01-20 CN disclosed