SCHEMBL28617469

SCHEMBL28617469

O=NOS(=O)(=O)Oc1nccs1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.34
TSHR P16473 1/20 0.34
NOS1 P29475 1/20 0.34
HSD17B10 Q99714 1/20 0.34
SCN9A Q15858 1/20 0.32
KDM4E B2RXH2 1/20 0.31
LMNA P02545 1/20 0.31
CYP2C9 P11712 1/20 0.31
EDNRA P25101 1/20 0.31
SLC6A4 P31645 1/20 0.31
ADRA1A P35348 1/20 0.31
PRMT6 Q96LA8 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL27809409 0.85 ALDH1A1 (0.37) ALDH1A1TSHRNOS1HSD17B10SCN9A
SCHEMBL3165386 0.77 ALDH1A1 (0.39) ALDH1A1TSHRNOS1HSD17B10SCN9A
SCHEMBL2591217 0.76 ALDH1A1 (0.38) ALDH1A1TSHRNOS1HSD17B10SCN9A
SCHEMBL28170599 0.75 SCN9A (0.32) ALDH1A1TSHRNOS1HSD17B10SCN9A
SCHEMBL5173136 0.73 ALDH1A1 (0.36) ALDH1A1TSHRNOS1HSD17B10SCN9A
SCHEMBL28787414 0.72
SCHEMBL28170556 0.72 SCN9A (0.31) ALDH1A1SCN9A
SCHEMBL15510632 0.71 SCN9A (0.31) SCN9A
SCHEMBL27681940 0.70 CA12 (0.39) ALDH1A1TSHRNOS1HSD17B10LMNA
Guanidine SCHEMBL27799914 0.70 ACP1 (0.35) ALDH1A1TSHRNOS1HSD17B10KDM4E

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-113214185-A Method for benzothiazole diazo coupling continuous reaction 青海施丹弗化工有限责任公司 2021-08-06 CN claimed
CN-113214185-A Method for benzothiazole diazo coupling continuous reaction 青海施丹弗化工有限责任公司 2021-08-06 CN disclosed