SCHEMBL20429136

SCHEMBL20429136

Cc1ccc(N(C)C2=CCc3ccccc32)c(C)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.35
MAPT P10636 4/20 0.35
NPC1 O15118 4/20 0.35
CASP3 P42574 1/20 0.35
SENP8 Q96LD8 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
SENP6 Q9GZR1 1/20 0.35
RAB9A P51151 4/20 0.33
POLB P06746 1/20 0.33
TP53 P04637 1/20 0.32
ALDH1A1 P00352 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
PKM P14618 1/20 0.31
ELANE P08246 1/20 0.31
LMNA P02545 1/20 0.30
CES1 P23141 1/20 0.30
DRD2 P14416 1/20 0.30
HTR2A P28223 1/20 0.30

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
SCHEMBL6906313 0.73 CES1 (0.45) SMN1; SMN2MAPTMEN1KMT2AL3MBTL1
SCHEMBL6905039 0.71 MALT1 (0.38) MAPTTP53ALDH1A1MEN1KMT2A
SCHEMBL5436534 0.71 TDP1 (0.44) SMN1; SMN2TP53ALDH1A1MEN1KMT2A
SCHEMBL20210303 0.70 CYP2A6 (0.41) SMN1; SMN2MAPTNPC1CASP3SENP8
SCHEMBL22313469 0.69 HTR7 (0.42) SMN1; SMN2MAPTNPC1CASP3SENP8
SCHEMBL13509013 0.69 MEN1 (0.40) MAPTTP53MEN1KMT2ALMNA
SCHEMBL6683871 0.66 HTR6 (0.37) MAPTTP53ALDH1A1MEN1KMT2A
SCHEMBL20210029 0.66 TDP1 (0.39) SMN1; SMN2TP53ALDH1A1
SCHEMBL20210153 0.64 TDP1 (0.38) SMN1; SMN2TP53ALDH1A1LMNA
SCHEMBL10042845 0.64 ALDH1A1 (0.46) MAPTTP53ALDH1A1CES1

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
EP-3012261-B1 METALLOCENE COMPOUND, CATALYST COMPOSITION COMPRISING SAME, AND METHOD FOR PRODUCING OLEFIN POLYMER USING CATALYST COMPOSITION LG CHEMICAL LTD (KR) 2018-08-01 EP disclosed