SCHEMBL27508322

SCHEMBL27508322

NC1CCN(c2cccc(Br)c2)C1=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
ALDH1A1 P00352 2/20 0.48
MGLL Q99685 1/20 0.44
ALOX5 P09917 2/20 0.42
HSD11B1 P28845 1/20 0.41
ROCK2 O75116 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
DHFR P00374 1/20 0.38
FPR1 P21462 1/20 0.38
FPR2 P25090 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA4 P22748 1/20 0.37
CA6 P23280 1/20 0.37

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
SCHEMBL19471892 0.83 HDAC1 (0.49) ALDH1A1ALOX5MEN1KMT2AHDAC1
SCHEMBL14275595 0.83 HDAC1 (0.49) ALDH1A1ALOX5MEN1KMT2AHDAC1
SCHEMBL17784780 0.83 HDAC1 (0.49) ALDH1A1ALOX5MEN1KMT2AHDAC1
SCHEMBL14275593 0.81 HSD11B1 (0.52) L3MBTL1ALDH1A1MGLLALOX5HSD11B1
SCHEMBL31334837 0.81 ATM (0.52) ATML3MBTL1ALDH1A1MGLLALOX5
SCHEMBL14275600 0.81 HTR2C (0.45) ALDH1A1MGLLALOX5ROCK2
SCHEMBL18048600 0.80 ROCK2 (0.47) ALDH1A1MGLLROCK2FPR1FPR2
SCHEMBL7927546 0.80 MEN1 (0.50) ALDH1A1ROCK2MEN1KMT2AFPR1
SCHEMBL5193387 0.80 MEN1 (0.50) ALDH1A1ROCK2MEN1KMT2AFPR1
SCHEMBL7933807 0.80 MEN1 (0.50) ALDH1A1ROCK2MEN1KMT2AFPR1

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
CN-1341594-A Substituted pyrrolidone, thiazolidone or oxazolidone as herbicide ZENECA LTD (GB) 2002-03-27 CN disclosed
CN-1153512-A Substituted pyrrolidones, thiazolidinones or oxazolidinones as herbicides ZENECA LTD (GB) 1997-07-02 CN disclosed