SCHEMBL6584835

SCHEMBL6584835

NCC(F)(F)CCC(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.40
THRB P10828 3/20 0.40
KMT2A Q03164 3/20 0.40
ALDH1A1 P00352 3/20 0.40
TSHR P16473 3/20 0.40
CYP1A2 P05177 2/20 0.40
GABRR1 P24046 2/20 0.40
BLM P54132 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
MEN1 O00255 2/20 0.40
HDAC3 O15379 2/20 0.40
HDAC1 Q13547 2/20 0.40
HDAC2 Q92769 2/20 0.40
HDAC8 Q9BY41 2/20 0.40
GABRP O00591 2/20 0.40
GABRD O14764 2/20 0.40
GABRA1 P14867 2/20 0.40
GABRB1 P18505 2/20 0.40
GABRG2 P18507 2/20 0.40
GABRB3 P28472 2/20 0.40

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
SCHEMBL12987414 0.84 LMNA (0.47) LMNATHRBKMT2AALDH1A1TSHR
SCHEMBL11264031 0.77 LMNA (0.40) LMNATHRBKMT2AALDH1A1TSHR
SCHEMBL15621601 0.77 LMNA (0.40) LMNATHRBKMT2AALDH1A1TSHR
SCHEMBL28320255 0.76 ALDH1A1 (0.42) LMNATHRBKMT2AALDH1A1TSHR
SCHEMBL149291 0.75 LMNA (0.38) LMNATHRBKMT2AALDH1A1TSHR
SCHEMBL12886188 0.75 ALDH1A1 (0.50) LMNATHRBKMT2AALDH1A1TSHR
SCHEMBL26342933 0.75 LMNA (0.38) LMNATHRBKMT2AALDH1A1TSHR
SCHEMBL460115 0.75 LMNA (0.38) LMNATHRBKMT2AALDH1A1TSHR
SCHEMBL347950 0.74
SCHEMBL346110 0.73 FFAR3 (0.48) LMNATHRBKMT2AALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104755482-A Functionalized 9-bromo-camptothecin derivatives NERVIANO MEDICAL SCIENCES SRL 2015-07-01 CN claimed
CN-104755482-B functionalized 9-bromo-camptothecin derivatives 内尔维阿诺医学科学有限公司 2017-04-26 CN disclosed
CN-104755482-A Functionalized 9-bromo-camptothecin derivatives NERVIANO MEDICAL SCIENCES SRL 2015-07-01 CN disclosed
CN-102417480-A Spirocyclic nitriles as protease inhibitors SANOFI AVENTIS 2012-04-18 CN disclosed
EP-1414792-A1 FLUORO LINKERS AND THEIR USE AS LINKERS FOR ENZYME-ACTIVATED DRUG CONJUGATES Pharmacia Italia S.p.A. (IT) 2004-05-06 EP disclosed
WO-2003014069-A1 FLUORO LINKERS AND THEIR USE AS LINKERS FOR ENZYME-ACTIVATED DRUG CONJUGATES PHARMACIA ITALIA SPA (IT) 2003-02-20 WO disclosed