SCHEMBL11052201

SCHEMBL11052201

Cc1cccc([N+](=O)[O-])c1NC(=O)NC(=N)N

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNMA1 Q12791 1/20 0.54
DRD2 P14416 1/20 0.50
HTR2A P28223 1/20 0.50
HTR2B P41595 1/20 0.50
KMT2A Q03164 4/20 0.49
PKM P14618 1/20 0.49
LMNA P02545 4/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
HTT P42858 1/20 0.47
TDP1 Q9NUW8 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
POLB P06746 2/20 0.44
TSHR P16473 2/20 0.44
HSD17B10 Q99714 1/20 0.42
GRIN2D O15399 1/20 0.42
GRIN3B O60391 1/20 0.42
GRIN1 Q05586 1/20 0.42
GRIN2A Q12879 1/20 0.42
GRIN2B Q13224 1/20 0.42
GRIN2C Q14957 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
SCHEMBL9539950 0.87 KCNMA1 (0.57) KCNMA1KMT2ALMNASMN1; SMN2HTT
SCHEMBL11591038 0.85 KCNMA1 (0.65) KCNMA1KMT2ALMNASMN1; SMN2HTT
SCHEMBL10614644 0.85 KCNMA1 (0.53) KCNMA1DRD2HTR2AHTR2BKMT2A
SCHEMBL11139142 0.85 KCNMA1 (0.50) KCNMA1KMT2ALMNASMN1; SMN2HTT
SCHEMBL11664959 0.84 CACNA1C (0.51) KCNMA1KMT2ALMNASMN1; SMN2HTT
SCHEMBL10939152 0.84 DRD2 (0.68) DRD2HTR2AHTR2BKMT2APKM
SCHEMBL11419571 0.84 KMT2A (0.40) KCNMA1KMT2ALMNASMN1; SMN2HTT
SCHEMBL11440745 0.84 MAPT (0.42) KCNMA1KMT2ALMNAPOLBMEN1
SCHEMBL11419564 0.84 MAPT (0.47) KCNMA1KMT2APKMLMNASMN1; SMN2
SCHEMBL11580623 0.84 KCNMA1 (0.54) KCNMA1DRD2HTR2AHTR2BKMT2A

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-0073276-A1 A method of increasing the feed efficiency of animals, and compositions for use in such a method RORER INTERNATIONAL (OVERSEAS) INC. (US) 1983-03-09 EP claimed
US-4452980-A DIARRHEA WILLIAM H. RORER, INC. (US) 1984-06-05 US disclosed
US-4326075-A ANTIDIARRHEA AGENTS WILLIAM H. RORER, INC. (US) 1982-04-20 US disclosed
US-4246409-A ANTIDIARRHEAL AGENTS WILLIAM H. RORER, INC. (US) 1981-01-20 US disclosed
US-4225315-A Triazinones from amidinoureas WILLIAM H. RORER, INC. (US) 1980-09-30 US disclosed
US-4203920-A ANTIDIARRHEAL WILLIAM H. RORER, INC. (US) 1980-05-20 US disclosed
US-4117165-A ANTIULCER, HYPOTENSIVE AGENTS WILLIAM H. RORER, INC. (US) 1978-09-26 US disclosed
US-4060635-A Amidinoureas for treating diarrhea WILLIAM H. RORER, INC. (US) 1977-11-29 US disclosed