SCHEMBL27484229

SCHEMBL27484229

CCC(CO)Nc1ccccc1.[Zr]

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH3 Q9ULD8 1/20 0.52
TDP1 Q9NUW8 4/20 0.45
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 2/20 0.44
POLB P06746 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
MAPT P10636 1/20 0.44
LMNA P02545 4/20 0.40
CNR1 P21554 1/20 0.40
ADRA1A P35348 1/20 0.40
IDO1 P14902 1/20 0.40
CYP3A4 P08684 2/20 0.39
THRB P10828 2/20 0.39
ALOX15 P16050 2/20 0.39
TSHR P16473 2/20 0.39
HSD17B10 Q99714 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
ALOX12 P18054 1/20 0.39
RECQL P46063 1/20 0.39

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
SCHEMBL2937099 0.98 KCNH3 (0.54) KCNH3TDP1ALDH1A1KDM4EPOLB
SCHEMBL20362192 0.98 KCNH3 (0.54) KCNH3TDP1ALDH1A1KDM4EPOLB
SCHEMBL8432345 0.85 TDP1 (0.48) KCNH3TDP1ALDH1A1KDM4EMEN1
SCHEMBL2495982 0.85 TDP1 (0.54) KCNH3TDP1ALDH1A1POLBMEN1
Methane SCHEMBL28523284 0.83 TDP1 (0.52) KCNH3TDP1ALDH1A1POLBMEN1
Hydrochloric Acid SCHEMBL17710412 0.83 TDP1 (0.52) KCNH3TDP1ALDH1A1POLBMEN1
SCHEMBL17894163 0.79 TLR8 (0.55) KCNH3TDP1ALDH1A1MEN1KMT2A
SCHEMBL17604111 0.78 HTT (0.47) KCNH3TDP1ALDH1A1KDM4EPOLB
SCHEMBL7240703 0.78 LATS1 (0.49) KCNH3TDP1ALDH1A1KDM4EMAPT
SCHEMBL459453 0.78 FYN (0.52) KCNH3TDP1ALDH1A1KDM4EPOLB

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
CN-1169736-A Catalyst for olefin polymerization ASAHI CHEMICAL IND (JP) 1998-01-07 CN disclosed