SCHEMBL8036853

SCHEMBL8036853

CCOC(=O)c1c(CC)nc(-c2ccc(Cl)cc2)[nH]c1=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.54
SIRT1 Q96EB6 1/20 0.54
SIRT3 Q9NTG7 1/20 0.54
TP53 P04637 1/20 0.49
MDM2 Q00987 1/20 0.49
CSF1R P07333 1/20 0.47
ALOX5 P09917 2/20 0.46
GABRA2 P47869 2/20 0.46
GABRB2 P47870 2/20 0.46
ALPL P05186 1/20 0.45
TARBP2 Q15633 1/20 0.45
ADORA3 P0DMS8 1/20 0.44
PRKCZ Q05513 1/20 0.44
MAPT P10636 1/20 0.44
TRPM8 Q7Z2W7 1/20 0.44
LMNA P02545 2/20 0.44
ALDH1A1 P00352 2/20 0.44
KMT2A Q03164 1/20 0.44
PTGES O14684 1/20 0.44
TNKS O95271 1/20 0.43

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
SCHEMBL8032162 0.91 SIRT2 (0.52) SIRT2SIRT1SIRT3TP53MDM2
SCHEMBL8042850 0.90 ALDH1A1 (0.47) SIRT2SIRT1SIRT3GABRA2GABRB2
SCHEMBL8026733 0.88 SIRT2 (0.56) SIRT2SIRT1SIRT3TP53MDM2
SCHEMBL8022429 0.83 SIRT2 (0.52) SIRT2SIRT1SIRT3TP53MDM2
SCHEMBL8762855 0.76 HSD17B10 (0.52) TP53CSF1RADORA3MAPTLMNA
SCHEMBL8043111 0.76 SMN1; SMN2 (0.46) SIRT2SIRT1SIRT3MAPTTNKS
SCHEMBL8040307 0.76 GABRA2 (0.49) SIRT2SIRT1SIRT3TP53MDM2
SCHEMBL8345138 0.76 SIRT2 (0.59) SIRT2SIRT1SIRT3TP53MDM2
SCHEMBL4949585 0.75 KDM4E (0.63) SIRT2SIRT1SIRT3TP53ALPL
SCHEMBL4010739 0.74 SIRT2 (0.45) SIRT2SIRT1SIRT3ALOX5ALPL

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-2009080242-A1 SUBSTITUTED 4-AMINOPYRIMIDINE-5-CARBOXYLIC ACID AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-07-02 WO disclosed