SCHEMBL2223266

SCHEMBL2223266

O=C(O)CNC(c1ccccc1)(c1ccccc1)c1ccccc1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 3/20 0.44
KIF11 P52732 2/20 0.43
ADRA1A P35348 2/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
OPRK1 P41145 1/20 0.41
KCNH2 Q12809 1/20 0.41
POLB P06746 1/20 0.39
KMT2A Q03164 1/20 0.39
PTGS2 P35354 2/20 0.38
AKR1B1 P15121 1/20 0.38
CXCL8 P10145 2/20 0.37
CYP2C19 P33261 1/20 0.37
HIF1A Q16665 1/20 0.37
ERCC5 P28715 1/20 0.37
FEN1 P39748 1/20 0.37
CDC25A P30304 1/20 0.36
CTSA P10619 1/20 0.36
CYP1A2 P05177 1/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL12264150 0.82 KCNN4 (0.50) KCNN4KIF11ADRA1AHTR2AHTR2C
SCHEMBL4199968 0.82 KCNN4 (0.56) KCNN4KIF11KMT2AAKR1B1CYP2C19
SCHEMBL12264151 0.79 KCNN4 (0.47) KCNN4KIF11ADRA1AHTR2AHTR2C
SCHEMBL191706 0.77 KCNN4 (0.52) KCNN4KIF11ADRA1AHTR2AHTR2C
SCHEMBL4254994 0.77 KCNN4 (0.44) KCNN4KIF11ADRA1AHTR2AHTR2C
SCHEMBL2390487 0.77 KCNN4 (0.44) KCNN4KIF11ADRA1AHTR2AHTR2C
SCHEMBL2392958 0.77 KCNN4 (0.49) KCNN4KIF11ADRA1AHTR2AHTR2C
SCHEMBL14156837 0.74 HTR2A (0.40) KCNN4KIF11ADRA1AHTR2AHTR2C
SCHEMBL2273209 0.73 KCNN4 (0.57) KCNN4KIF11ADRA1AHTR2AHTR2C
SCHEMBL29262767 0.73 KCNN4 (0.61) KCNN4KIF11ADRA1AHTR2AHTR2C

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-2011086553-A1 CYCLIC PEPTIDES, COMPOSITIONS COMPRISING THEM AND USES THEREOF AS NUCLEASES OF NUCLEOTIDIC MACROMOLECULES YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM, LTD. (IL) 2011-07-21 WO disclosed