SCHEMBL10653790

SCHEMBL10653790

CCOC(=O)c1cc([N+](=O)[O-])cnc1/C=C/N(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ POLB P06746 2/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ NPC1 O15118 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.41
▸ CCR6 P51684 2/20 0.41
▸ GALR2 O43603 1/20 0.41
▸ MITF O75030 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ HSP90AA1 P07900 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ XBP1 P17861 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ GLA P06280 1/20 0.40
▸ PDE4B Q07343 1/20 0.38
▸ PDE4D Q08499 1/20 0.38
▸ AKR1B1 P15121 1/20 0.38

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
SCHEMBL10653796 1.00 MAPT (0.48) MAPTKMT2APOLBSMN1; SMN2NPC1
SCHEMBL31347406 0.84 MAPT (0.51) MAPTKMT2APOLBSMN1; SMN2NPC1
SCHEMBL26659825 0.82 CYP2C9 (0.43) MAPTKMT2ASMN1; SMN2NPC1KDM4E
SCHEMBL2332293 0.79 MAPT (0.55) MAPTKMT2APOLBSMN1; SMN2NPC1
SCHEMBL397996 0.78 ALDH1A1 (0.44) MAPTKMT2APOLBSMN1; SMN2NPC1
SCHEMBL397995 0.78 ALDH1A1 (0.44) MAPTKMT2APOLBSMN1; SMN2NPC1
SCHEMBL8321809 0.77 MAPT (0.54) MAPTKMT2APOLBSMN1; SMN2NPC1
SCHEMBL9593080 0.76 MAPT (0.53) MAPTKMT2APOLBSMN1; SMN2NPC1
SCHEMBL1313734 0.76 MAPT (0.53) MAPTKMT2APOLBSMN1; SMN2NPC1
SCHEMBL912582 0.76 MAPT (0.59) MAPTKMT2APOLBSMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0133310-B1 IMIDAZOLIDINONES, AND IMIDAZOLIDINETHIONES, PROCESS FOR THE PREPARATION THEREOF, AND USE OF SAID COMPOUNDS AS HERBICIDAL AGENTS AMERICAN CYANAMID COMPANY (US) 1988-09-14 — — EP disclosed
EP-0277661-A1 Imidazopyrrolopyridines and condensed derivatives thereof useful in the preparation of herbicidal compounds AMERICAN CYANAMID COMPANY (US) 1988-08-10 — — EP disclosed
US-4701208-A Dihydroimidazopyrrolopyridine, quinoline, thieno- and furo[2,3-b]pyridine, dihydrothieno- and furo[2,3-b]-pyridine, thieno- and furo[3,2-b]pyridine and dihydrothieno- and furo[3,2-b]pyridine herbicides and method for preparation thereof AMERICAN CYANAMID COMPANY (US) 1987-10-20 — — US disclosed
US-4608079-A Imidazolidinones, and imidazolidinethiones, process and intermediates for the preparation thereof, and use of said compounds as herbicidal agents AMERICAN CYANAMID COMPANY (US) 1986-08-26 — — US disclosed
EP-0133309-A1 Herbicides and method for the preparation thereof AMERICAN CYANAMID COMPANY (US) 1985-02-20 — — EP disclosed
EP-0133310-A1 Imidazolidinones, and imidazolidinethiones, process for the preparation thereof, and use of said compounds as herbicidal agents AMERICAN CYANAMID COMPANY (US) 1985-02-20 — — EP disclosed
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