SCHEMBL6536579

SCHEMBL6536579

OCCC=Nc1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.38
KMT2A Q03164 3/20 0.36
CYP2C9 P11712 1/20 0.36
ALDH1A1 P00352 4/20 0.36
MAPT P10636 4/20 0.36
KDM4E B2RXH2 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
MAOA P21397 1/20 0.35
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
GAA P10253 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MEN1 O00255 1/20 0.35
USP2 O75604 1/20 0.35
ALOX12 P18054 1/20 0.35
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
S100B P04271 1/20 0.34
HTR3E A5X5Y0 1/20 0.34

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
SCHEMBL14460086 0.81 SIRT2 (0.45) SIRT2KMT2ACYP2C9ALDH1A1MAPT
SCHEMBL10756355 0.81 SIRT2 (0.45) SIRT2KMT2ACYP2C9ALDH1A1MAPT
SCHEMBL7516473 0.78 ALDH1A1 (0.45) SIRT2KMT2ACYP2C9ALDH1A1MAPT
SCHEMBL10090559 0.78 ALDH1A1 (0.45) SIRT2KMT2ACYP2C9ALDH1A1MAPT
SCHEMBL637260 0.77 KDM4E (0.38) KMT2AALDH1A1MAPTKDM4ETDP1
SCHEMBL6301209 0.77 KMT2A (0.36) KMT2ACYP2C9ALDH1A1MAPTKDM4E
SCHEMBL637259 0.77 KDM4E (0.38) KMT2AALDH1A1MAPTKDM4ETDP1
SCHEMBL10763352 0.76 SMN1; SMN2 (0.41) CYP2C9ALDH1A1MAPTTDP1MAOA
SCHEMBL21562376 0.76 SMN1; SMN2 (0.41) CYP2C9ALDH1A1MAPTTDP1MAOA
Hydrochloric Acid SCHEMBL2960053 0.75 ALDH1A1 (0.43) SIRT2KMT2ACYP2C9ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1309653-A4 POLYMERIC METHINE ULTRAVIOLET ABSORBERS MILLIKEN & CO (US) 2004-12-22 EP disclosed
EP-1309653-A1 POLYMERIC METHINE ULTRAVIOLET ABSORBERS Milliken & Company (US) 2003-05-14 EP disclosed
WO-2002014418-A1 POLYMERIC METHINE ULTRAVIOLET ABSORBERS_________________________ MILLIKEN & COMPANY (US) 2002-02-21 WO disclosed