SCHEMBL28680464

SCHEMBL28680464

Oc1ccc2ccccc2c1Sc1ccc(Br)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.58
PAK1 Q13153 1/20 0.58
POLB P06746 2/20 0.50
PTPN22 Q9Y2R2 1/20 0.44
RRM1 P23921 1/20 0.43
CYP1A2 P05177 2/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
HTT P42858 1/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
ERN1 O75460 1/20 0.39
HSP90AA1 P07900 1/20 0.38
HSP90AB1 P08238 1/20 0.38

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
SCHEMBL28693353 0.83 USP2 (0.58) USP2PAK1POLBPTPN22CYP1A2
SCHEMBL28692978 0.83 USP2 (0.58) USP2PAK1POLBPTPN22CYP1A2
SCHEMBL753620 0.82 USP2 (0.76) USP2PAK1POLBPTPN22CYP1A2
SCHEMBL28665039 0.80 USP2 (0.58) USP2PAK1POLBPTPN22CYP1A2
SCHEMBL28674305 0.77 USP2 (0.50) USP2PAK1RRM1MEN1KMT2A
SCHEMBL28689280 0.75 ERN1 (0.44) CYP2C9CYP2C19HSD17B10MEN1KMT2A
SCHEMBL4907161 0.74 USP2 (1.00) USP2PAK1POLBPTPN22CYP1A2
SCHEMBL29354769 0.74 USP2 (1.00) USP2PAK1POLBPTPN22CYP1A2
SCHEMBL28674712 0.73 USP2 (0.53) USP2PAK1POLBPTPN22CYP1A2
SCHEMBL29757610 0.73 USP2 (0.53) USP2PAK1POLBPTPN22CYP1A2

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
CN-113816815-B Synthesis method of 1-thiophenyl-2-aromatic phenolic compound 南开大学 2022-07-29 CN disclosed
CN-113816815-A Synthesis method of 1-thiophenyl-2-aromatic phenolic compound 南开大学 2021-12-21 CN disclosed