SCHEMBL3137529

SCHEMBL3137529

Cc1cccc2[nH]c(C(N)=O)nc12

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.58
PARP1 P09874 5/20 0.54
ALDH1A1 P00352 2/20 0.51
TDP1 Q9NUW8 1/20 0.51
HPSE Q9Y251 1/20 0.49
MGAM O43451 9/20 0.49
GAA P10253 9/20 0.49
SI P14410 9/20 0.49
MGAM2 Q2M2H8 9/20 0.49
KDM4E B2RXH2 1/20 0.48
NPC1 O15118 1/20 0.48
TP53 P04637 1/20 0.48
HPGD P15428 1/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HSD17B10 Q99714 1/20 0.48
PDE10A Q9Y233 1/20 0.45

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
SCHEMBL1144691 0.85 HRH4 (0.59) HRH4ALDH1A1TDP1HPSEMGAM
SCHEMBL8371470 0.83 HRH4 (0.51) HRH4ALDH1A1TDP1MGAMGAA
SCHEMBL11745318 0.83 HRH4 (0.58) HRH4ALDH1A1TDP1HPSEMGAM
SCHEMBL9241387 0.83 HRH4 (0.55) HRH4PARP1ALDH1A1TDP1HPSE
SCHEMBL1933246 0.81 PARP1 (0.69) PARP1
SCHEMBL3726213 0.81 CHEK1 (0.49) PARP1TDP1GAA
SCHEMBL4629094 0.81 PARP1 (0.47) PARP1
SCHEMBL20479692 0.81 PARP1 (0.51) HRH4PARP1
SCHEMBL7701684 0.81 HRH4 (0.56) HRH4ALDH1A1TDP1HPSEMGAM
SCHEMBL7427217 0.81 HRH4 (0.56) HRH4ALDH1A1TDP1HPSEMGAM

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2183213-A2 OPTICALLY ACTIVE (R)-ARYLOXYPROPIONIC ACID AMIDES AND HERBICIDAL COMPOSITION COMPRISING SAME Kyung Nong Corporation (KR) 2010-05-12 EP disclosed
WO-2009005297-A2 OPTICALLY ACTIVE (R)-ARYLOXYPROPIONIC ACID AMIDES AND HERBICIDAL COMPOSITION COMPRISING SAME KYUNG NONG CORPORATION (KR) 2009-01-08 WO disclosed