SCHEMBL28638751

SCHEMBL28638751

O=C(O)c1ccc2c(S(=O)(=O)O)cc(S(=O)(=O)O)cc2c1.[NaH]

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 1/20 0.49
FYN P06241 1/20 0.49
PTPN1 P18031 1/20 0.45
ENPP2 Q13822 2/20 0.43
PRMT1 Q99873 1/20 0.42
CASP6 P55212 5/20 0.42
NSD2 O96028 3/20 0.42
DUSP3 P51452 2/20 0.42
PTPN5 P54829 2/20 0.42
PTPN11 Q06124 2/20 0.42
CTDSP1 Q9GZU7 1/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
HSD17B10 Q99714 2/20 0.41
ALDH1A1 P00352 1/20 0.41
CDC25B P30305 1/20 0.39
NT5E P21589 2/20 0.39
ATIC P31939 1/20 0.39
CASP7 P55210 1/20 0.37
ING2 Q9H160 1/20 0.36

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
SCHEMBL18503845 0.98 LCK (0.50) LCKFYNPTPN1ENPP2PRMT1
SCHEMBL7944056 0.89 PTPN1 (0.49) LCKFYNPTPN1CDC25BTDP1
SCHEMBL25196311 0.87 LCK (0.52) LCKFYNPTPN1ENPP2PRMT1
SCHEMBL30156858 0.87 LCK (0.52) LCKFYNPTPN1ENPP2PRMT1
SCHEMBL29365363 0.87 PTPN1 (0.50) LCKFYNPTPN1CDC25BTDP1
SCHEMBL79524 0.87 PTPN1 (0.50) LCKFYNPTPN1CDC25BTDP1
SCHEMBL25202268 0.86 LCK (0.50) LCKFYNPTPN1ENPP2PRMT1
Terephthalic Acid SCHEMBL10934299 0.85 CASP6 (0.58) LCKFYNENPP2PRMT1CASP6
SCHEMBL7941985 0.85 PTPN1 (0.49) LCKFYNPTPN1CDC25BTDP1
SCHEMBL15387616 0.85 PTPN1 (0.49) LCKFYNPTPN1CDC25BTDP1

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-214361092-U Be used for tuo shi sour cauldron formula device of disulfonating in succession 王兴中 2021-10-08 CN disclosed
CN-112794808-A Tu's acid kettle type continuous disulfonation process and device 王兴中 2021-05-14 CN disclosed