SCHEMBL699690

SCHEMBL699690

CC1=C(c2ccncc2S(=O)(=O)O)C(=O)N=N1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.37
TP53 P04637 2/20 0.37
MAPT P10636 2/20 0.37
CASP1 P29466 2/20 0.37
BLM P54132 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
CASP7 P55210 1/20 0.37
CA12 O43570 9/20 0.35
CA2 P00918 9/20 0.35
CA9 Q16790 9/20 0.35
CA1 P00915 8/20 0.35
CA14 Q9ULX7 8/20 0.35
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
KDM4E B2RXH2 1/20 0.33
CDC25B P30305 1/20 0.33
NAPRT Q6XQN6 1/20 0.33
SIRT3 Q9NTG7 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
SCHEMBL11468785 0.80 MYC (0.39) CYP3A4MAPTCASP1SMN1; SMN2TSHR
SCHEMBL696837 0.77 ALDH1A1 (0.35) MAPTBLMSMN1; SMN2TSHRKDM4E
SCHEMBL28672147 0.71 GPBAR1 (0.45) TP53MAOAMAOBTDP1
SCHEMBL25488361 0.71 CA12 (0.42) TP53MAPTSMN1; SMN2CA12CA2
SCHEMBL692668 0.71 CA12 (0.31) CA12CA2CA9CA1
SCHEMBL2563881 0.70 TDP1 (0.46) TP53CA12CA2CA9CA1
SCHEMBL692944 0.68 LMNA (0.40) MAPTLMNA
SCHEMBL8847131 0.67 NAPRT (0.48) CA12CA2CA9CA1CA14
SCHEMBL692424 0.67 ADORA2B (0.40) MAPTBLMSMN1; SMN2TSHRMAPK1
SCHEMBL19939976 0.67 NAPRT (0.44) TP53CA12CA2CA9CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2421613-A2 KERATIN DYEING COMPOSITIONS COMPRISING A RADICAL SCAVENGER AND A CHELANT AND USE THEREOF The Procter & Gamble Company (US) 2012-02-29 EP claimed
WO-2010123866-A2 KERATIN DYEING COMPOSITIONS COMPRISING A RADICAL SCAVENGER AND A CHELANT AND USE THEREOF THE PROCTER & GAMBLE COMPANY (US) 2010-10-28 WO claimed
EP-2421613-A2 KERATIN DYEING COMPOSITIONS COMPRISING A RADICAL SCAVENGER AND A CHELANT AND USE THEREOF The Procter & Gamble Company (US) 2012-02-29 EP disclosed
WO-2010123866-A2 KERATIN DYEING COMPOSITIONS COMPRISING A RADICAL SCAVENGER AND A CHELANT AND USE THEREOF THE PROCTER & GAMBLE COMPANY (US) 2010-10-28 WO disclosed