SCHEMBL633284

SCHEMBL633284

O=C(CC(F)F)c1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.63
MAPT P10636 4/20 0.56
HPGD P15428 4/20 0.56
KMT2A Q03164 3/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
MAPK1 P28482 3/20 0.56
MEN1 O00255 2/20 0.56
TDP1 Q9NUW8 2/20 0.56
KDM4E B2RXH2 2/20 0.56
CYP3A4 P08684 2/20 0.56
ALOX15 P16050 1/20 0.56
CES1 P23141 1/20 0.56
ALDH1A1 P00352 5/20 0.52
GSK3B P49841 2/20 0.52
PTPN1 P18031 2/20 0.52
HIF1A Q16665 2/20 0.52
TRPA1 O75762 1/20 0.52
NPC1 O15118 1/20 0.52
L3MBTL1 Q9Y468 6/20 0.50
LMNA P02545 3/20 0.50

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
SCHEMBL9017506 0.83 TSHR (0.64) TSHRMAPTHPGDKMT2ASMN1; SMN2
SCHEMBL27352994 0.83 TSHR (0.59) TSHRMAPTHPGDKMT2ASMN1; SMN2
SCHEMBL5158714 0.83 TSHR (0.59) TSHRMAPTHPGDKMT2ASMN1; SMN2
SCHEMBL5197853 0.83 TSHR (0.59) TSHRMAPTHPGDKMT2ASMN1; SMN2
SCHEMBL28983039 0.79 TSHR (0.55) TSHRMAPTHPGDKMT2ASMN1; SMN2
SCHEMBL5197224 0.79 TSHR (0.55) TSHRMAPTHPGDKMT2ASMN1; SMN2
SCHEMBL5194626 0.79 TSHR (0.55) TSHRMAPTHPGDKMT2ASMN1; SMN2
SCHEMBL8187567 0.79 ALDH1A1 (0.55) TSHRMAPTHPGDKMT2ASMN1; SMN2
SCHEMBL1606582 0.79 TSHR (0.65) TSHRMAPTHPGDKMT2ASMN1; SMN2
SCHEMBL5313340 0.79 TSHR (0.72) TSHRMAPTHPGDKMT2ASMN1; 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
WO-2021047166-A1 METHOD FOR SYNTHESIZING TRANYLCYPROMINE INTERMEDIATE 凯特立斯(深圳)科技有限公司 2021-03-18 WO disclosed
CN-110627628-A Beta-iodo-difluoropropanone derivative and preparation method thereof 上海应用技术大学 2019-12-31 CN disclosed
EP-2419400-A1 MONOAMINE REUPTAKE INHIBITORS RESEARCH TRIANGLE INSTITUTE (US) 2012-02-22 EP disclosed
EP-1401819-A1 5-HT RECEPTOR LIGANDS AND USES THEREOF Pfizer Products Inc. (US) 2004-03-31 EP disclosed
WO-2003000663-A1 5-HT RECEPTOR LIGANDS AND USES THEREOF PFIZER PRODUCTS INC. (US) 2003-01-03 WO disclosed