SCHEMBL7760876

SCHEMBL7760876

CCCCCc1ccccc1NC(=N)NC(=N)N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LIPG Q9Y5X9 1/20 0.43
▸ POLB P06746 1/20 0.40
▸ CYSLTR2 Q9NS75 1/20 0.38
▸ CYSLTR1 Q9Y271 1/20 0.38
▸ SLC16A3 O15427 5/20 0.38
▸ GRIN2D O15399 1/20 0.38
▸ GRIN3B O60391 1/20 0.38
▸ GRIN1 Q05586 1/20 0.38
▸ GRIN2A Q12879 1/20 0.38
▸ GRIN2B Q13224 1/20 0.38
▸ GRIN2C Q14957 1/20 0.38
▸ GRIN3A Q8TCU5 1/20 0.38
▸ SIGMAR1 Q99720 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ LMNA P02545 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ ALOX5 P09917 1/20 0.36
▸ PTGS2 P35354 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
SCHEMBL4736488 0.99 LIPG (0.45) LIPGPOLBCYSLTR2CYSLTR1SLC16A3
SCHEMBL7009167 0.96 POLB (0.41) LIPGPOLBCYSLTR2CYSLTR1SLC16A3
SCHEMBL17777668 0.90 GRIN2D (0.40) POLBGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL4983970 0.83 POLB (0.45) LIPGPOLBCYSLTR2CYSLTR1SLC16A3
SCHEMBL28283706 0.83 MAPT (0.53) POLBGRIN2DGRIN3BGRIN1GRIN2A
Hydrochloric Acid SCHEMBL27660578 0.82 ALDH1A1 (0.51) POLBGRIN2DGRIN3BGRIN1GRIN2A
Hexane SCHEMBL27860757 0.81 CYP1A2 (0.45) ALDH1A1MAPTLMNAHTT
SCHEMBL29581945 0.80 POLB (0.53) LIPGPOLBCYSLTR2CYSLTR1SLC16A3
SCHEMBL1955155 0.80 POLB (0.53) LIPGPOLBCYSLTR2CYSLTR1SLC16A3
SCHEMBL17289519 0.80 LIPG (0.46) LIPGCYSLTR2CYSLTR1HTTALOX5

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
EP-1086268-A1 WRINKLE REDUCING COMPOSITION THE PROCTER & GAMBLE COMPANY (US) 2001-03-28 — — EP disclosed
WO-1999055948-A1 WRINKLE REDUCING COMPOSITION THE PROCTER & GAMBLE COMPANY (US) 1999-11-04 — — WO disclosed
Send feedback