SCHEMBL28517673

SCHEMBL28517673

O=S(=O)(O)c1ccc2nc(S(=O)(=O)O)ccc2n1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.36
GAA P10253 1/20 0.36
HSD17B10 Q99714 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.35
TSHR P16473 2/20 0.35
LMNA P02545 3/20 0.33
CYP2C19 P33261 2/20 0.33
HDAC6 Q9UBN7 1/20 0.33
MAPT P10636 5/20 0.32
HTT P42858 4/20 0.32
ALDH1A1 P00352 3/20 0.32
HPGD P15428 1/20 0.32
NAPRT Q6XQN6 1/20 0.32
NT5E P21589 1/20 0.32
POLB P06746 1/20 0.32
KDM4E B2RXH2 1/20 0.31
CASR P41180 1/20 0.31
KMT2A Q03164 1/20 0.31
CYP2C9 P11712 1/20 0.30

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
SCHEMBL28520490 0.82 TSHR (0.33) L3MBTL1GAAHSD17B10SMN1; SMN2TSHR
SCHEMBL6833105 0.78 MGAM (0.46) L3MBTL1GAASMN1; SMN2LMNACYP2C19
Hydrochloric Acid SCHEMBL7958520 0.78 MGAM (0.46) L3MBTL1GAASMN1; SMN2LMNACYP2C19
SCHEMBL28514007 0.78 MGAM (0.46) L3MBTL1GAASMN1; SMN2LMNACYP2C19
SCHEMBL20916328 0.77 KDM4E (0.38) L3MBTL1HSD17B10SMN1; SMN2TSHRLMNA
SCHEMBL5549158 0.77 ERN1 (0.35) L3MBTL1GAAHSD17B10LMNAKDM4E
SCHEMBL8847325 0.76 TSHR (0.42) L3MBTL1HSD17B10SMN1; SMN2TSHRLMNA
SCHEMBL11561900 0.75 TSHR (0.39) L3MBTL1HSD17B10SMN1; SMN2TSHRLMNA
SCHEMBL3458498 0.73 HTT (0.57) L3MBTL1GAAHSD17B10SMN1; SMN2LMNA
SCHEMBL30665799 0.73 HTT (0.57) L3MBTL1GAAHSD17B10SMN1; SMN2LMNA

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-112321490-A Auxiliary agent and preparation method thereof 宿迁联盛科技股份有限公司 2021-02-05 CN claimed
CN-112321490-A Auxiliary agent and preparation method thereof 宿迁联盛科技股份有限公司 2021-02-05 CN disclosed