SCHEMBL5070049

SCHEMBL5070049

N=C(N)SCCS(=O)(=O)O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.61
HRH4 Q9H3N8 4/20 0.55
CYP1A2 P05177 4/20 0.55
CYP2C19 P33261 5/20 0.48
NOS1 P29475 4/20 0.48
MAPT P10636 3/20 0.48
TDP1 Q9NUW8 3/20 0.48
TSHR P16473 1/20 0.48
ALDH1A1 P00352 3/20 0.47
NOS3 P29474 3/20 0.46
NOS2 P35228 3/20 0.46
CYP3A4 P08684 2/20 0.46
APEX1 P27695 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
BLM P54132 3/20 0.42
CYP2D6 P10635 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
KDM4E B2RXH2 1/20 0.42
HRH3 Q9Y5N1 1/20 0.41
NPC1 O15118 1/20 0.40

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
SCHEMBL422082 0.86 CYP1A2 (0.52) LMNAHRH4CYP1A2CYP2C19NOS1
SCHEMBL22834187 0.85 CYP1A2 (0.50) LMNAHRH4CYP1A2CYP2C19NOS1
SCHEMBL12064740 0.77 LMNA (0.39) LMNAHRH4CYP1A2CYP2C19MAPT
Sulfuric Acid SCHEMBL4408205 0.76 CYP1A2 (0.76) LMNAHRH4CYP1A2CYP2C19NOS1
SCHEMBL19629288 0.75
Sulfuric Acid SCHEMBL11698488 0.74 NOS1 (0.77) LMNAHRH4CYP1A2CYP2C19NOS1
SCHEMBL1404473 0.72 LMNA (0.39) LMNACYP2C19BLMSLC6A6
SCHEMBL1404468 0.71 LMNA (0.36) LMNACYP2C19BLMCYP2D6NPSR1
Bromide SCHEMBL17747992 0.70 HRH4 (1.00) LMNAHRH4CYP1A2CYP2C19NOS1
SCHEMBL20598830 0.70 LMNA (0.48) LMNAHRH4CYP1A2CYP2C19NOS1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112505217-A Method for rapidly detecting freshness of crab meat 浙江波拉波拉食品股份有限公司 2021-03-16 CN claimed
US-4196073-A Hydrophilic thio compounds as selective depressants in the flotation separation of copper and molybdenum CANADIAN INDUSTRIES LIMITED (CA) 1980-04-01 US claimed
CN-112505217-A Method for rapidly detecting freshness of crab meat 浙江波拉波拉食品股份有限公司 2021-03-16 CN disclosed
JP-2008174484-A COMPOSITION FOR HAIR AND ANTI-WHITE HAIR AGENT SHISEIDO CO LTD 2008-07-31 JP disclosed
US-5039805-A Novel benzoic and phenylacetic acid derivatives HOFFMANN-LA ROCHE INC. (US) 1991-08-13 US disclosed
US-4322214-A USING A SULFUR OR SULFURIZED VAT DYE IN AN ALKALINE BATH CONTAINING A MERCAPTO COMPOUND AND A SULFITE SALT; LEVELING ASAHI CHEMICAL COMPANY LIMITED (JP) 1982-03-30 US disclosed
US-4196073-A Hydrophilic thio compounds as selective depressants in the flotation separation of copper and molybdenum CANADIAN INDUSTRIES LIMITED (CA) 1980-04-01 US disclosed