SCHEMBL28040445

SCHEMBL28040445

O=S(=O)(O)c1cncc(S)c1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NAPRT Q6XQN6 1/20 0.45
APLNR P35414 1/20 0.39
KDM4E B2RXH2 1/20 0.35
TSHR P16473 3/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
LCK P06239 1/20 0.34
FYN P06241 1/20 0.34
TDP1 Q9NUW8 2/20 0.33
LMNA P02545 1/20 0.33
ING2 Q9H160 1/20 0.33
ALDH1A1 P00352 4/20 0.32
HSD17B10 Q99714 3/20 0.32
NT5E P21589 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
CASP6 P55212 1/20 0.32

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
SCHEMBL5082291 0.84 NAPRT (0.54) NAPRTAPLNRKDM4ETSHRSMN1; SMN2
SCHEMBL1347132 0.74 S100A9 (0.45) NAPRTAPLNRKDM4ESMN1; SMN2
SCHEMBL31344514 0.74 HCAR2 (0.45) NAPRTAPLNRKDM4E
SCHEMBL11638312 0.74 ALDH1A1 (0.50) NAPRTAPLNRKDM4ETSHRSMN1; SMN2
SCHEMBL5149378 0.74 HCAR2 (0.45) NAPRTAPLNRKDM4ETSHRSMN1; SMN2
Hydrochloric Acid SCHEMBL27899332 0.72 S100A9 (0.44) NAPRTAPLNRKDM4ESMN1; SMN2
Hydrochloric Acid SCHEMBL27566402 0.72 HCAR2 (0.44) NAPRTAPLNRKDM4ETSHRSMN1; SMN2
Hydrochloric Acid SCHEMBL28159283 0.72 HCAR2 (0.44) NAPRTAPLNRKDM4E
SCHEMBL11027647 0.71 LCK (0.61) NAPRTAPLNRKDM4ELCKFYN
SCHEMBL28040446 0.69 POLB (0.32)

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-105088311-B A kind of aluminium alloy is without nickel environmental protection hole sealing agent 深圳前海艾丽优科技有限公司 2018-07-24 CN disclosed
CN-105088311-A Aluminum alloy nickel-free environment-friendly hole sealing agent SHENZHEN QIANHAI AILIYOU TECHNOLOGY CO LTD 2015-11-25 CN disclosed