SCHEMBL6899079

SCHEMBL6899079

N=C(N)N(C(N)=O)c1ccc(Br)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.41
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
IDO1 P14902 2/20 0.37
CES2 O00748 1/20 0.37
CES1 P23141 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
OGG1 O15527 1/20 0.35
EPHX1 P07099 2/20 0.35
NQO2 P16083 1/20 0.35
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC10 Q969S8 1/20 0.34
HDAC11 Q96DB2 1/20 0.34
HDAC8 Q9BY41 1/20 0.34

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
SCHEMBL23279339 0.85 ALOX5 (0.42) ALOX5MEN1KMT2AIDO1CES2
SCHEMBL10735461 0.82 LMNA (0.41) MEN1KMT2ACA1CA2KDM4E
SCHEMBL6690812 0.80 LMNA (0.42) KMT2AIDO1CES2CES1SMN1; SMN2
SCHEMBL11581937 0.80 KCNN4 (0.39) KMT2AIDO1CES2CES1NQO2
SCHEMBL11581649 0.80 TPMT (0.35) CA1CA2SLC22A2SLC22A1SLC22A3
SCHEMBL3077185 0.80 ALOX5 (0.42) ALOX5MEN1KMT2AIDO1CES2
SCHEMBL6691676 0.79 NPFFR1 (0.31) CA1CA2
SCHEMBL3073692 0.79 ALDH1A1 (0.45) ALOX5MEN1KMT2APLAUALDH1A1
SCHEMBL6898137 0.78 C1S (0.46) MEN1KMT2ASMN1; SMN2ALDH1A1HPGD
Hydrochloric Acid SCHEMBL28482173 0.78 ALDH1A1 (0.43) ALOX5MEN1KMT2AIDO1PLAU

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0888141-B1 FILM-FORMING COMPOSITIONS OF ANTIHYPERALGESIC OPIATES AND THEIR USE FOR TREATING HYPERALGESIC CONDITIONS THEREWITH ADOLOR CORP (US) 2004-05-26 EP claimed
US-6353004-B1 TREATMENT OF PRUTITIC CONDITION IN VAGINA ADOLOR COPORATION 2002-03-05 US claimed
EP-0888141-A4 FILM-FORMING COMPOSITIONS OF ANTIHYPERALGESIC OPIATES AND METHOD OF TREATING HYPERALGESIC CONDITIONS THEREWITH ADOLOR CORP (US) 2001-01-17 EP claimed
EP-0888141-A1 FILM-FORMING COMPOSITIONS OF ANTIHYPERALGESIC OPIATES AND METHOD OF TREATING HYPERALGESIC CONDITIONS THEREWITH Adolor Corporation (US) 1999-01-07 EP claimed
US-5849762-A Peripherally acting anti-pruritic opiates ADOLOR CORPORATION (US) 1998-12-15 US claimed
WO-1997033634-A1 FILM-FORMING COMPOSITIONS OF ANTIHYPERALGESIC OPIATES AND METHOD OF TREATING HYPERALGESIC CONDITIONS THEREWITH ADOLOR CORPORATION (US) 1997-09-18 WO claimed
US-5667773-A Film-forming compositions of antihyperalgesic opiates and method of treating hyperalgesic conditions therewith ADOLOR CORPORATION (US) 1997-09-16 US claimed
US-4025652-A ANTIDIARRHEA AGENTS WILLIAM H. RORER, INC. (US) 1977-05-24 US claimed
EP-0888141-B1 FILM-FORMING COMPOSITIONS OF ANTIHYPERALGESIC OPIATES AND THEIR USE FOR TREATING HYPERALGESIC CONDITIONS THEREWITH ADOLOR CORP (US) 2004-05-26 EP disclosed
US-6576650-B1 No central nervous system side effects REGENTS OF THE UNIVERSITY OF CALIFORNIA 2003-06-10 US disclosed
US-6573282-B1 Compositions for treatment of peripheral hyperalgesia are provided. The compositions contain an anti-hyperalgesia effective amount of one or more compounds that directly or indirectly interact with peripheral opiate receptors ADOLOR CORPORATION 2003-06-03 US disclosed
US-6353004-B1 TREATMENT OF PRUTITIC CONDITION IN VAGINA ADOLOR COPORATION 2002-03-05 US disclosed
US-6166039-A Peripherally active anti-hyperalgesic opiates REGENTS OF THE UNIV. OF CALIFORNIA (US) 2000-12-26 US disclosed
US-5994372-A ANTIDIARRHEA COMPOUND REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1999-11-30 US disclosed
EP-0086193-A1 THE TREATMENT AND PREVENTION OF SCOURS IN ANIMALS RORER INTERNATIONAL (OVERSEAS) INC. (US) 1983-08-24 EP disclosed
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 disclosed
WO-1983000626-A1 THE TREATMENT AND PREVENTION OF SCOURS IN ANIMALS RORER INT OVERSEAS (US) 1983-03-03 WO disclosed
US-4340609-A Amidinourea derivative veterinary compositions for suppression of parasitemia WILLIAM H. RORER, INC. (US) 1982-07-20 US disclosed
US-4285972-A Method of treating scours WILLIAM H. RORER, INC. (US) 1981-08-25 US disclosed
US-4088785-A HYPOTENSIVE AGENTS WILLIAM H. RORER, INC. (US) 1978-05-09 US disclosed