SCHEMBL7692209

SCHEMBL7692209

CCN(CC)c1c(Br)cc(N)cc1Br

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
ALDH1A1 P00352 2/20 0.41
TSHR P16473 2/20 0.41
PSMD14 O00487 1/20 0.41
CYP3A4 P08684 1/20 0.41
MAPK1 P28482 1/20 0.41
RECQL P46063 1/20 0.41
GFER P55789 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
S100B P04271 1/20 0.39
ALDH1A3 P47895 1/20 0.35
KDM4E B2RXH2 1/20 0.33
KMT2A Q03164 1/20 0.33
CRHR1 P34998 3/20 0.32
GBA1 P04062 1/20 0.31
PRKCI P41743 1/20 0.31

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
SCHEMBL9346967 0.85 SLC29A1 (0.39) GAAMAPTALDH1A1TSHRPSMD14
SCHEMBL7689956 0.83 GAA (0.41) GAAMAPTALDH1A1TSHRPSMD14
SCHEMBL7691111 0.73 CYP3A4 (0.44) GAAMAPTALDH1A1TSHRPSMD14
SCHEMBL9346962 0.72 GAA (0.35) GAAMAPT
SCHEMBL14368093 0.70 GBA1 (0.41) MAPTALDH1A1TSHRMAPK1ALDH1A3
SCHEMBL9145668 0.70 ALDH1A3 (0.32) ALDH1A3GBA1
SCHEMBL15153043 0.69 GAA (0.50) GAAMAPTALDH1A1TSHRL3MBTL1
SCHEMBL7692975 0.69 ALDH1A1 (0.58) GAAMAPTALDH1A1TSHRPSMD14
SCHEMBL27706402 0.67 S100B (0.42) ALDH1A1TSHRS100BALDH1A3KDM4E
SCHEMBL11008912 0.64 S100B (0.69) GAAMAPTALDH1A1TSHRPSMD14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6340596-B1 COLORIMETRIC ANALYSIS; REACTING HYDROGEN SULFIDE WITH P-(DIALKYLAMINO)-ANILINE DERIVATIVE AND OXIDIZING AGENT UNDER ACIDIC CONDITIONS FUJIREBIO INC. (JP) 2002-01-22 US claimed
US-6340596-B1 COLORIMETRIC ANALYSIS; REACTING HYDROGEN SULFIDE WITH P-(DIALKYLAMINO)-ANILINE DERIVATIVE AND OXIDIZING AGENT UNDER ACIDIC CONDITIONS FUJIREBIO INC. (JP) 2002-01-22 US disclosed
EP-0936466-A2 Reagent composition for measuring hydrogen sulfide and method for measuring hydrogen sulfide FUJIREBIO INC. (JP) 1999-08-18 EP disclosed