SCHEMBL9319847

SCHEMBL9319847

CCC(=O)Nc1cc(N(CC)CC)ccc1N=Nc1c(Br)cc([N+](=O)[O-])cc1C#N

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.40
MAPT P10636 9/20 0.38
ALDH1A1 P00352 8/20 0.38
KMT2A Q03164 6/20 0.38
MEN1 O00255 5/20 0.38
POLB P06746 2/20 0.38
HPGD P15428 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
RECQL P46063 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
GRK2 P25098 1/20 0.35
DNMT1 P26358 1/20 0.35
CTDSP1 Q9GZU7 1/20 0.35

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
SCHEMBL29363120 1.00 LMNA (0.40) LMNAMAPTALDH1A1KMT2AMEN1
SCHEMBL9319844 1.00 LMNA (0.40) LMNAMAPTALDH1A1KMT2AMEN1
SCHEMBL9319464 0.95 LMNA (0.38) LMNAMAPTALDH1A1KMT2AMEN1
SCHEMBL9319467 0.95 LMNA (0.38) LMNAMAPTALDH1A1KMT2AMEN1
SCHEMBL9319684 0.93 LMNA (0.39) LMNAMAPTALDH1A1KMT2AMEN1
SCHEMBL9319682 0.93 LMNA (0.39) LMNAMAPTALDH1A1KMT2AMEN1
SCHEMBL5388613 0.92 RECQL (0.39) LMNAMAPTALDH1A1KMT2AMEN1
SCHEMBL13475197 0.92 LMNA (0.35) LMNAMAPTALDH1A1KMT2AMEN1
SCHEMBL10941541 0.92 LMNA (0.38) LMNAMAPTALDH1A1KMT2AMEN1
SCHEMBL11695350 0.91 MAPT (0.36) LMNAMAPTALDH1A1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106365243-B Abandon a class type rainwater deep cycle purifier and purification process thereof 徐州工程学院 2020-09-08 CN claimed
EP-0300626-B1 Disperse dye mixture ZENECA LTD (GB) 1994-01-19 EP claimed
CN-106365243-B Abandon a class type rainwater deep cycle purifier and purification process thereof 徐州工程学院 2020-09-08 CN disclosed
US-10510984-B2 Transparent display devices and methods of manufacturing transparent display devices SAMSUNG DISPLAY CO., LTD. (KR) 2019-12-17 US disclosed
EP-0300626-B1 Disperse dye mixture ZENECA LTD (GB) 1994-01-19 EP disclosed