SCHEMBL6695684

SCHEMBL6695684

N=C(N)NC(=O)N(Br)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 1/20 0.38
NPSR1 Q6W5P4 1/20 0.36
ALDH1A1 P00352 3/20 0.34
PKM P14618 2/20 0.34
F2 P00734 1/20 0.33
F10 P00742 1/20 0.33
F12 P00748 1/20 0.33
F7 P08709 1/20 0.33
F3 P13726 1/20 0.33
POLB P06746 1/20 0.33
CYP3A4 P08684 1/20 0.33
PARP1 P09874 1/20 0.33
MAPT P10636 1/20 0.33
TSHR P16473 1/20 0.33
CYP2C19 P33261 1/20 0.33
RECQL P46063 1/20 0.33
BLM P54132 1/20 0.33
PMP22 Q01453 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL6699643 0.79 NPSR1 (0.36) PLAUNPSR1ALDH1A1PKMF2
SCHEMBL28515349 0.79 NPSR1 (0.36) PLAUNPSR1ALDH1A1PKMF2
SCHEMBL6691760 0.79 NPSR1 (0.36) PLAUNPSR1ALDH1A1PKMF2
SCHEMBL6694934 0.75 MEN1 (0.59) ALDH1A1F2TSHRL3MBTL1MEN1
SCHEMBL8393643 0.74 NPSR1 (0.46) NPSR1ALDH1A1POLBCYP3A4PARP1
Hydrochloric Acid SCHEMBL15527446 0.72 BLM (0.44) PLAUNPSR1ALDH1A1PKMF2
SCHEMBL6692879 0.71 MEN1 (0.38) PLAUALDH1A1TSHRMEN1KMT2A
SCHEMBL1741633 0.70 LMNA (0.44) PLAUALDH1A1POLBL3MBTL1MEN1
SCHEMBL11423712 0.70 SIGMAR1 (0.33) PLAUALDH1A1PKMCYP3A4MAPT
SCHEMBL8393641 0.70 NPSR1 (0.46) NPSR1ALDH1A1POLBCYP3A4TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-3553083-B2 2004-08-11 JP 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
EP-1119354-A1 PERIPHERALLY ACTING ANTI-PRURITIC OPIATES Adolor Corporation (US) 2001-08-01 EP claimed
WO-2000021530-A1 PERIPHERALLY ACTING ANTI-PRURITIC OPIATES ADOLOR CORPORATION (US) 2000-04-20 WO claimed
EP-0852494-A2 PERIPHERALLY ACTIVE ANTI-HYPERALGESIC OPIATES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1998-07-15 EP claimed
WO-1997009973-A2 PERIPHERALLY ACTIVE ANTI-HYPERALGESIC OPIATES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1997-03-20 WO claimed