SCHEMBL8891129

SCHEMBL8891129

CSc1ccc(C(=O)C(C#N)C(=O)C2CC2)c(Cc2ccccc2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
ALDH1A1 P00352 1/20 0.36
TBXA2R P21731 1/20 0.35
PTGER3 P43115 1/20 0.35
PTGER2 P43116 1/20 0.35
PTGDR Q13258 1/20 0.35
GAA P10253 2/20 0.35
NPC1 O15118 1/20 0.35
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
MBTD1 Q05BQ5 1/20 0.33
L3MBTL3 Q96JM7 1/20 0.33
EDNRA P25101 1/20 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
SCHEMBL8891189 0.90 PTPN1 (0.34) L3MBTL1MBTD1L3MBTL3PTPN1PTPN2
SCHEMBL8901366 0.83 SCN1A (0.42) MEN1KMT2AL3MBTL1ALDH1A1NPC1
SCHEMBL8607601 0.79 HPGD (0.40) HPGDKMT2AALDH1A1GAANPC1
SCHEMBL8606694 0.77 HPGD (0.49) HPGDMEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL8890858 0.76 SLC6A2 (0.36) HPGDMEN1KMT2AL3MBTL1GAA
SCHEMBL3950084 0.76 TSHR (0.32) HPGDALDH1A1GAASMN1; SMN2CTSC
SCHEMBL8901745 0.76 KMT2A (0.42) HPGDMEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL8900220 0.75 HSD11B1 (0.36) MEN1KMT2AALDH1A1GAANPC1
SCHEMBL8890879 0.74 DPP4 (0.37) HPGDALDH1A1SMN1; SMN2
SCHEMBL8900596 0.72 PTPN1 (0.34) HPGDL3MBTL1GAAMBTD1L3MBTL3

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
WO-1997028136-A1 BENZOYLISOXAZOLES AND 2-CYANO-1,3-DIONE DERIVATIVES AND THEIR USE AS HERBICIDES RHONE-POULENC AGRICULTURE LTD. (GB) 1997-08-07 WO disclosed