SCHEMBL8801068

SCHEMBL8801068

Nc1ccc2[nH]c(CCCN3C(=O)c4ccccc4C3=O)cc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.51
MAPT P10636 8/20 0.45
MEN1 O00255 6/20 0.45
KMT2A Q03164 6/20 0.45
LMNA P02545 3/20 0.45
TDP1 Q9NUW8 3/20 0.45
HTT P42858 2/20 0.45
TP53 P04637 1/20 0.45
HPGD P15428 1/20 0.43
GAA P10253 2/20 0.43
CASP1 P29466 1/20 0.43
HSD17B10 Q99714 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ALDH1A1 P00352 3/20 0.41
NPSR1 Q6W5P4 2/20 0.41
RAB9A P51151 2/20 0.40
NPC1 O15118 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40

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
SCHEMBL8799883 0.81 HTR1A (0.48) GPR84MAPTMEN1KMT2ALMNA
SCHEMBL12758951 0.77 HRH3 (0.56) GPR84MAPTMEN1KMT2ALMNA
SCHEMBL4470856 0.77 MAPT (0.52) GPR84MAPTMEN1KMT2ALMNA
SCHEMBL11354778 0.76 GPR84 (0.44) GPR84MAPTMEN1KMT2ALMNA
SCHEMBL8837552 0.74 LMNA (0.61) MAPTMEN1KMT2ALMNAHTT
SCHEMBL27978584 0.72 CYP2A6 (0.51) GPR84MAPTMEN1KMT2ATDP1
SCHEMBL2157305 0.72 TDP1 (0.60) TDP1L3MBTL1ALDH1A1
SCHEMBL14044219 0.71 MAPT (0.69) MAPTMEN1KMT2ALMNATDP1
SCHEMBL8800534 0.70 CYP19A1 (0.43) MEN1KMT2A
SCHEMBL7091473 0.69 CDK4 (0.46) MAPTMEN1KMT2ATDP1GAA

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-0779887-A1 NOVEL BENZIMIDAZOLE DERIVATIVES HAVING CGMP-PHOSPHODISTERASE INHIBITING ACTIVITY OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-06-25 EP disclosed