SCHEMBL21765274

SCHEMBL21765274

Cc1c(F)cc(I)cc1CN(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
POLB P06746 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
THRB P10828 1/20 0.42
G6PD P11413 1/20 0.42
PABPC1 P11940 1/20 0.42
KMT2A Q03164 1/20 0.42
HKDC1 Q2TB90 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
SLC6A4 P31645 13/20 0.37
SLC6A2 P23975 10/20 0.37
ALOX15 P16050 2/20 0.35
CYP2C9 P11712 1/20 0.35
HSD17B10 Q99714 1/20 0.35
HTR2A P28223 1/20 0.34
SLC6A3 Q01959 5/20 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
SCHEMBL21756932 0.77 ALDH1A1 (0.38) KDM4EMEN1ALDH1A1POLBGAA
SCHEMBL752725 0.73 HDAC1 (0.39)
SCHEMBL23341422 0.68 TAAR1 (0.47) KDM4EMEN1ALDH1A1POLBGAA
SCHEMBL24136102 0.68 TTR (0.43)
SCHEMBL24699771 0.68 TTR (0.32)
SCHEMBL24582730 0.67 ALDH1A1 (0.48) KDM4EMEN1ALDH1A1POLBGAA
SCHEMBL11966130 0.66 ALOX15 (0.57) KDM4EMEN1ALDH1A1POLBGAA
SCHEMBL879283 0.65 SLC6A4 (0.49) KDM4EMEN1ALDH1A1POLBGAA
SCHEMBL21769976 0.65 CYP2A13 (0.50) KDM4EMEN1POLBKMT2AALOX15
SCHEMBL21765278 0.64 TTR (0.40)

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
WO-2020039094-A1 PHENOXY(HETERO)ARYL ETHERS OF ANTIPROLIFERATIVE ACTIVITY Xeniopro GmbH (DE) 2020-02-27 WO disclosed