SCHEMBL6691674

SCHEMBL6691674

N=C(NC(N)=O)Nc1ccc(Br)c(Br)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.41
NPC1 O15118 3/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
LMNA P02545 2/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PLAU P00749 3/20 0.38
F2 P00734 3/20 0.38
F10 P00742 2/20 0.38
PLAT P00750 2/20 0.38
PLG P00747 1/20 0.38
BLM P54132 1/20 0.38
WRN Q14191 1/20 0.38
RAB9A P51151 2/20 0.38
F13A1 P00488 1/20 0.38
TGM2 P21980 1/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 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
SCHEMBL6698612 0.86 IDO1 (0.44) MAPTNPC1MEN1KMT2ALMNA
SCHEMBL6701331 0.86 MAPT (0.60) MAPTNPC1MEN1KMT2ALMNA
SCHEMBL11258941 0.86 MAPT (0.39) MAPTNPC1MEN1KMT2ALMNA
SCHEMBL11255183 0.86 KIF11 (0.49) MAPTNPC1MEN1KMT2ALMNA
SCHEMBL6697641 0.86 MAOB (0.47) MAPTNPC1MEN1KMT2ALMNA
SCHEMBL11250207 0.86 PLAU (0.36) MAPTPLAUF2F10PLAT
SCHEMBL11254366 0.83 MAPT (0.47) MAPTNPC1MEN1KMT2ALMNA
SCHEMBL8859856 0.82 PEPD (0.52) MAPTNPC1MEN1KMT2ALMNA
SCHEMBL11264870 0.81 MEN1 (0.46) MAPTNPC1MEN1KMT2ALMNA
SCHEMBL11247124 0.81 CYP19A1 (0.46) MAPTMEN1KMT2ALMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-3553083-B2 2004-08-11 JP 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 claimed
EP-1119354-A4 PERIPHERALLY ACTING ANTI-PRURITIC OPIATES ADOLOR CORP (US) 2003-02-12 EP claimed
JP-2002527392-A 2002-08-27 JP claimed
US-6353004-B1 TREATMENT OF PRUTITIC CONDITION IN VAGINA ADOLOR COPORATION 2002-03-05 US claimed
EP-1119354-A1 PERIPHERALLY ACTING ANTI-PRURITIC OPIATES Adolor Corporation (US) 2001-08-01 EP 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
WO-2000021530-A1 PERIPHERALLY ACTING ANTI-PRURITIC OPIATES ADOLOR CORPORATION (US) 2000-04-20 WO 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
EP-0852494-A2 PERIPHERALLY ACTIVE ANTI-HYPERALGESIC OPIATES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1998-07-15 EP 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
WO-1997009973-A2 PERIPHERALLY ACTIVE ANTI-HYPERALGESIC OPIATES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1997-03-20 WO 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-4285972-A Method of treating scours WILLIAM H. RORER, INC. (US) 1981-08-25 US disclosed
US-4115564-A Treatment of diarrhea with amidinoureas WILLIAM H. RORER, INC. (US) 1978-09-19 US disclosed
US-4088785-A HYPOTENSIVE AGENTS WILLIAM H. RORER, INC. (US) 1978-05-09 US disclosed