SCHEMBL22273614

SCHEMBL22273614

N#Cc1cc(N)ccc1N1C(=O)CCCC1=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.51
LMNA P02545 2/20 0.51
POLB P06746 1/20 0.44
APEX1 P27695 1/20 0.44
CASP6 P55212 1/20 0.44
CTDSP1 Q9GZU7 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
MAPT P10636 5/20 0.44
GAA P10253 3/20 0.44
HSD17B10 Q99714 2/20 0.44
KMT2A Q03164 5/20 0.41
ATAD2 Q6PL18 1/20 0.40
ALDH1A1 P00352 4/20 0.39
USP2 O75604 1/20 0.39
HPGD P15428 3/20 0.36
TP53 P04637 1/20 0.36
MAPK1 P28482 1/20 0.35
MEN1 O00255 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 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
SCHEMBL5653129 0.83 KDM4E (0.50) KDM4ELMNAMAPTGAAHSD17B10
SCHEMBL6140971 0.76 TP53 (0.59) KDM4ELMNAPOLBAPEX1CASP6
SCHEMBL11476060 0.75 KDM4E (0.55) KDM4ELMNATDP1MAPTGAA
SCHEMBL3156791 0.75 MAPT (0.60) KDM4ELMNAPOLBTDP1MAPT
SCHEMBL5793163 0.73 ALDH1A1 (0.61) KDM4ELMNAPOLBTDP1MAPT
SCHEMBL6052447 0.73 ALDH1A1 (0.61) KDM4ELMNAPOLBTDP1MAPT
SCHEMBL6141020 0.72 NR4A1 (0.51) KDM4ELMNAPOLBAPEX1CASP6
SCHEMBL6140202 0.72 GAA (0.44) KDM4EPOLBAPEX1CASP6CTDSP1
SCHEMBL11482620 0.71 KDM4E (0.54) KDM4ELMNAPOLBMAPTGAA
SCHEMBL22273612 0.71 KDM4E (0.42) KDM4EPOLBTDP1MAPTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3915978-A1 N-BENZYL-N-ARYLSULFONAMIDE DERIVATIVE AND PREPARATION AND USE THEREOF Hangzhou Yirui Pharmaceutical Technology Co., Ltd (CN) 2021-12-01 EP disclosed
WO-2020151687-A1 N-BENZYL-N-ARYLSULFONAMIDE DERIVATIVE AND PREPARATION AND USE THEREOF 杭州壹瑞医药科技有限公司 2020-07-30 WO disclosed