SCHEMBL28023022

SCHEMBL28023022

O=C(OCCCS(=O)(=O)c1ccc(Br)cc1)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.57
HSD11B1 P28845 2/20 0.52
HPGD P15428 2/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
LMNA P02545 2/20 0.46
RECQL P46063 2/20 0.46
GRK2 P25098 2/20 0.46
MAPK1 P28482 1/20 0.46
POLB P06746 5/20 0.45
CTDSP1 Q9GZU7 1/20 0.45
KMT2A Q03164 2/20 0.44
KDM4E B2RXH2 1/20 0.44
PSMD14 O00487 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MMP2 P08253 1/20 0.44
DNMT1 P26358 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
TSHR P16473 1/20 0.43
NHERF1 O14745 1/20 0.43

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
SCHEMBL28023649 0.92 HSD11B1 (0.55) TDP1HSD11B1HPGDNPC1RAB9A
SCHEMBL27933090 0.90 TDP1 (0.66) TDP1HSD11B1LMNAMAPK1POLB
SCHEMBL28023650 0.83 TDP1 (0.53) TDP1HSD11B1NPC1RAB9ALMNA
SCHEMBL14336043 0.81 TDP1 (0.59) TDP1HSD11B1LMNAMAPK1POLB
SCHEMBL21590247 0.80 PLCG1 (0.46) TDP1HSD11B1LMNARECQLGRK2
SCHEMBL10172828 0.77 TDP1 (0.70) TDP1NPC1RAB9ALMNAMAPK1
SCHEMBL9723980 0.77 NPC1 (0.56) TDP1HSD11B1NPC1RAB9ALMNA
SCHEMBL27839502 0.75 HPGD (0.68) TDP1HSD11B1HPGDNPC1RAB9A
SCHEMBL27933192 0.75 HSD11B1 (0.88) HSD11B1RECQLGRK2POLBCTDSP1
SCHEMBL28023012 0.75 HPGD (0.48) TDP1HPGDNPC1RAB9ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103509135-B Olefin polymerization catalyst component, preparation method and application thereof CHINA PETROLEUM & CHEMICAL 2015-07-22 CN disclosed