SCHEMBL6997964

SCHEMBL6997964

O=C=NC(=O)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CES2 O00748 1/20 0.62
▸ CES1 P23141 1/20 0.62
▸ TP53 P04637 1/20 0.60
▸ ALDH1A1 P00352 7/20 0.58
▸ TSHR P16473 4/20 0.58
▸ KMT2A Q03164 5/20 0.53
▸ MEN1 O00255 4/20 0.53
▸ PRSS1 P07477 1/20 0.51
▸ PRSS2 P07478 1/20 0.51
▸ PRSS3 P35030 1/20 0.51
▸ MAPT P10636 6/20 0.51
▸ HTT P42858 3/20 0.51
▸ HSP90AA1 P07900 2/20 0.51
▸ NPSR1 Q6W5P4 2/20 0.51
▸ POLB P06746 2/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.51
▸ CTDSP1 Q9GZU7 1/20 0.51
▸ MITF O75030 1/20 0.51
▸ LMNA P02545 1/20 0.50
▸ RXFP1 Q9HBX9 1/20 0.49

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
SCHEMBL3053906 0.86 CES2 (0.60) CES2CES1TP53ALDH1A1TSHR
SCHEMBL30163014 0.86 CES2 (0.60) CES2CES1TP53ALDH1A1TSHR
SCHEMBL20876815 0.81 CES2 (0.68) CES2CES1TP53ALDH1A1TSHR
SCHEMBL3395919 0.80 L3MBTL1 (0.43) CES2CES1TSHRKMT2AMEN1
SCHEMBL6577708 0.80 CES1 (0.57) CES2CES1ALDH1A1TSHRKMT2A
SCHEMBL10431251 0.79 CES2 (0.64) CES2CES1TP53ALDH1A1TSHR
SCHEMBL31374765 0.77 CES1 (1.00) CES2CES1TP53ALDH1A1TSHR
SCHEMBL181572 0.77 CES2 (0.78) CES2CES1TP53ALDH1A1TSHR
SCHEMBL2156825 0.77 CES1 (1.00) CES2CES1TP53ALDH1A1TSHR
SCHEMBL5555845 0.77 TDP1 (0.40) CES2CES1ALDH1A1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0874809-B1 CARBAMOYLOXY DERIVATIVES OF MUTILINE AND THEIR USE AS ANTIBACTERIALS SMITHKLINE BEECHAM PLC (GB) 2003-08-27 — — EP disclosed
US-6239175-B1 Carbamoyloxy derivatives of mutiline and their use as antibacterials SMITHKLINE BEECHAM P.L.C. (GB) 2001-05-29 — — US disclosed
US-6020368-A MICROBIOCIDES HINKS JEREMY DAVID (US) 2000-02-01 — — US disclosed
EP-0874809-A1 CARBAMOYLOXY DERIVATIVES OF MUTILINE AND THEIR USE AS ANTIBACTERIALS SMITHKLINE BEECHAM PLC (GB) 1998-11-04 — — EP disclosed
WO-1997025309-A1 CARBAMOYLOXY DERIVATIVES OF MUTILINE AND THEIR USE AS ANTIBACTERIALS SMITHKLINE BEECHAM PLC (GB) 1997-07-17 — — WO disclosed
EP-0320448-B1 3-Aminobenzoyl phenyl urea CIBA GEIGY AG (CH) 1994-12-28 — — EP disclosed
US-4282212-A Immune-stimulating 1-(N-acylcarbamoyl)-2-cyanoaziridines BOEHRINGER MANNHEIM GMBH (DE) 1981-08-04 — — US disclosed
US-4150158-A Oxadiazindione derivatives useful as insecticides IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1979-04-17 — — US disclosed
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