SCHEMBL4697359

SCHEMBL4697359

CC(C)Oc1cc(OC2CCNC2)ccc1-c1ccc[c]n1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PRKCZ Q05513 7/20 0.40
CHRNB2 P17787 1/20 0.38
CHRNA4 P43681 1/20 0.38
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38
PDE7A Q13946 1/20 0.37
CHEK1 O14757 1/20 0.37
ROCK1 Q13464 2/20 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
SCHEMBL2743890 0.89 CHEK1 (0.46) PRKCZCHRNB2CHRNA4PDE7ACHEK1
SCHEMBL27981876 0.86 PDE7A (0.47) PRKCZCHRNB2CHRNA4PDE7ACHEK1
SCHEMBL27981853 0.85 PRKCZ (0.41) PRKCZCHRNB2CHRNA4HTR2CHTR2B
SCHEMBL8572594 0.82 PRKCZ (0.43) PRKCZCHRNB2CHRNA4HTR2CHTR2B
SCHEMBL27981561 0.82 CHEK1 (0.44) PRKCZPDE7ACHEK1ROCK1
SCHEMBL221461 0.82 PRKCZ (0.43) PRKCZCHRNB2CHRNA4HTR2CHTR2B
SCHEMBL27981878 0.80 ROCK1 (0.43) PRKCZCHRNB2CHRNA4HTR2CHTR2B
SCHEMBL1911989 0.74 ROCK1 (0.46) PRKCZCHRNB2CHRNA4HTR2CHTR2B
SCHEMBL27981849 0.70 KDM4E (0.41) CHRNB2CHRNA4
SCHEMBL27981569 0.70 TP53 (0.38)

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
CN-101316853-B Benzothiazole and thiazolopyridine as SIRTUIN modulators SIRTRIS PHARMACEUTICALS INC 2014-09-24 CN disclosed
EP-1910385-A1 BENZOTHIAZOLES AND THIAZOLOPYRIDINES AS SIRTUIN MODULATORS Sirtris Pharmaceuticals, Inc. (US) 2008-04-16 EP disclosed
WO-2007019346-A1 BENZOTHIAZOLES AND THIAZOLOPYRIDINES AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2007-02-15 WO disclosed