SCHEMBL9345778

SCHEMBL9345778

CC(=O)N(C#N)Cc1ccco1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.49
ALDH1A1 P00352 2/20 0.47
MAPK1 P28482 2/20 0.47
NPSR1 Q6W5P4 2/20 0.47
TSHR P16473 1/20 0.47
RIPK1 Q13546 1/20 0.46
POLB P06746 1/20 0.43
MAPT P10636 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
TP53 P04637 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HSD11B1 P28845 1/20 0.42
GFER P55789 1/20 0.41

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
SCHEMBL21393181 0.79 MAPK1 (0.66) ALOX5ALDH1A1MAPK1NPSR1TSHR
SCHEMBL16679218 0.79 ALOX5 (0.50) ALOX5ALDH1A1RIPK1MAPTKMT2A
SCHEMBL4463285 0.78 ALOX5 (0.56) ALOX5ALDH1A1MAPK1NPSR1TSHR
SCHEMBL9342373 0.77 ALOX5 (0.40) ALOX5ALDH1A1TSHRRIPK1POLB
SCHEMBL11967793 0.76 RIPK1 (0.62) ALOX5ALDH1A1MAPK1NPSR1TSHR
SCHEMBL28226220 0.73 MAPK1 (0.59) ALOX5ALDH1A1MAPK1NPSR1TSHR
SCHEMBL10628165 0.73 ALDH1A1 (0.40) ALOX5ALDH1A1MAPK1TSHRPOLB
SCHEMBL6927610 0.73 ALDH1A1 (0.52) ALOX5ALDH1A1TSHRPOLBMEN1
SCHEMBL13197673 0.71 MAPK1 (0.64) ALOX5ALDH1A1MAPK1NPSR1TSHR
SCHEMBL16316820 0.70 MAPK1 (0.59) ALOX5ALDH1A1MAPK1NPSR1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5288732-A Fungicides for plants BAYER AKTIENGESELLSCHAFT (DE) 1994-02-22 US disclosed
US-5231109-A Fungicides BAYER AKTIENGESELLSCHAFT (DE) 1993-07-27 US disclosed
US-4886833-A FUNGICIDES, PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 1989-12-12 US disclosed