SCHEMBL8036895

SCHEMBL8036895

CCOC(=O)c1c(OC2CCCC2)nc(-c2ccc(Cl)cc2)nc1C(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.40
CYP1A2 P05177 1/20 0.40
POLB P06746 1/20 0.40
SIRT2 Q8IXJ6 1/20 0.39
SIRT1 Q96EB6 1/20 0.39
SIRT3 Q9NTG7 1/20 0.39
GAA P10253 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
GPR55 Q9Y2T6 1/20 0.39
TARBP2 Q15633 1/20 0.39
LMNA P02545 3/20 0.39
CACNA1D Q01668 2/20 0.39
PRKCZ Q05513 1/20 0.38
TRPM8 Q7Z2W7 1/20 0.38
ALOX5 P09917 1/20 0.38
CACNB4 O00305 1/20 0.38
CACNA1A O00555 1/20 0.38
CACNA1G O43497 1/20 0.38
CACNG3 O60359 1/20 0.38
CACNA1F O60840 1/20 0.38

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
SCHEMBL8038387 0.88 KDM4E (0.46) MAPTCYP1A2POLBSIRT2SIRT1
SCHEMBL4007802 0.86 ATM (0.40) NPSR1TP53ALDH1A1
SCHEMBL4010115 0.84 MAPT (0.39) MAPTCYP1A2POLBSIRT2SIRT1
SCHEMBL8031450 0.84 CYP1A2 (0.47) MAPTCYP1A2POLBSIRT2SIRT1
SCHEMBL8024769 0.84 MAPT (0.45) MAPTCYP1A2POLBSIRT2SIRT1
SCHEMBL8034697 0.84 MAPT (0.40) MAPTCYP1A2POLBSIRT2SIRT1
SCHEMBL8021652 0.84 CYP1A2 (0.42) MAPTCYP1A2POLBGAANPSR1
SCHEMBL8030927 0.83 ATM (0.46) MAPTCYP1A2POLBSIRT2SIRT1
SCHEMBL8034434 0.81 LMNA (0.44) MAPTCYP1A2POLBSIRT2SIRT1
SCHEMBL8043414 0.81 TARBP2 (0.46) MAPTPOLBSIRT2SIRT1SIRT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009080248-A1 SUBSTITUTED 2-PHENYLPYRIMIDINE-5-CARBOXYLIC ACIDS AND THE USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-07-02 WO disclosed