SCHEMBL9711489

SCHEMBL9711489

O=C1CCNC(=O)C1C(=O)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.50
CES1 P23141 1/20 0.50
TP53 P04637 1/20 0.49
ALDH1A1 P00352 5/20 0.48
TSHR P16473 2/20 0.48
LMNA P02545 1/20 0.45
GAA P10253 1/20 0.45
POLB P06746 1/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
RXFP1 Q9HBX9 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
PRSS1 P07477 1/20 0.43
PRSS2 P07478 1/20 0.43
PRSS3 P35030 1/20 0.43
KDM4E B2RXH2 1/20 0.42
TDP2 O95551 2/20 0.42
MAPT P10636 1/20 0.42

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
SCHEMBL9711632 0.84 CES1 (0.45) CES2CES1ALDH1A1TSHRPOLB
SCHEMBL9711540 0.79 HPD (0.49) CES2TP53ALDH1A1TSHRLMNA
SCHEMBL9711712 0.78 SMN1; SMN2 (0.44) TP53ALDH1A1TSHRLMNAMEN1
SCHEMBL9711582 0.76 LMNA (0.49) CES2CES1TP53ALDH1A1TSHR
SCHEMBL9711491 0.75 CES2 (0.49) CES2ALDH1A1LMNAPOLBMEN1
SCHEMBL5215671 0.74 CES2 (0.57) CES2CES1TP53ALDH1A1TSHR
SCHEMBL9711486 0.74 ALDH1A1 (0.44) ALDH1A1GAAMEN1KMT2AL3MBTL1
SCHEMBL29433469 0.73 CES2 (0.64) CES2CES1TP53ALDH1A1TSHR
SCHEMBL6175481 0.73 CES2 (0.64) CES2CES1TP53ALDH1A1TSHR
Hydrochloric Acid SCHEMBL5210218 0.73 CES2 (0.55) CES2CES1TP53ALDH1A1TSHR

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
US-5114461-A Herbicides MAY & BAKER LIMITED (GB) 1992-05-19 US disclosed
EP-0278742-A2 Cyclic diones MAY & BAKER LIMITED (GB) 1988-08-17 EP disclosed