SCHEMBL21183276

SCHEMBL21183276

CCC1=CCc2cc(N)ccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.44
MPO P05164 1/20 0.42
MAPT P10636 5/20 0.39
KDM4E B2RXH2 4/20 0.39
ALDH1A1 P00352 4/20 0.39
LMNA P02545 3/20 0.39
RAB9A P51151 3/20 0.39
CASP1 P29466 2/20 0.39
CASP7 P55210 2/20 0.39
NPC1 O15118 2/20 0.39
HPGD P15428 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HSD17B10 Q99714 1/20 0.39
HTR7 P34969 1/20 0.37
GAA P10253 4/20 0.37
ATAD2 Q6PL18 1/20 0.35
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
TLR9 Q9NR96 1/20 0.33
POLB P06746 3/20 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
SCHEMBL2959482 0.78 MPO (0.42) MPOHPGDTSHR
SCHEMBL14612728 0.75 MPO (0.73) MPOALDH1A1HSD17B10CYP3A4NQO2
SCHEMBL6552816 0.72 HTR6 (0.53) HTR6MPOKDM4ERAB9ANPC1
SCHEMBL27868846 0.70 LMNA (0.39) HTR6MAPTKDM4EALDH1A1LMNA
SCHEMBL6087130 0.69 CHEK1 (0.33) MPOMAPTKDM4EALDH1A1LMNA
Butane SCHEMBL14698465 0.68 RAB9A (0.64) MAPTKDM4EALDH1A1LMNARAB9A
SCHEMBL1612734 0.67 HTR7 (0.41) MPOHTR7TDP1NQO2MTNR1A
SCHEMBL6086500 0.66 RARA (0.34)
SCHEMBL345797 0.65 PRKCI (0.45) MAPTKDM4EALDH1A1LMNARAB9A
SCHEMBL2975742 0.64 PNMT (0.38) MPORAB9ANPC1SMN1; SMN2HTR7

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-3184556-B1 METALLOCENE-SUPPORTED CATALYST AND METHOD OF PREPARING POLYOLEFIN USING THE SAME LG CHEMICAL LTD (KR) 2019-07-24 EP disclosed