SCHEMBL4007745

SCHEMBL4007745

CCOC(=O)Oc1c(C)nc(-c2ccc(Cl)cc2)[nH]c1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.48
SIRT1 Q96EB6 1/20 0.48
SIRT3 Q9NTG7 1/20 0.48
HSD17B10 Q99714 3/20 0.48
MAPK1 P28482 2/20 0.48
USP2 O75604 1/20 0.48
TSHR P16473 1/20 0.48
TNKS O95271 4/20 0.43
TNKS2 Q9H2K2 4/20 0.43
PARP2 Q9UGN5 3/20 0.43
GUSB P08236 1/20 0.41
RAB9A P51151 1/20 0.41
PARP1 P09874 1/20 0.41
ALPL P05186 1/20 0.40
TARBP2 Q15633 1/20 0.40
LMNA P02545 2/20 0.40
MAPT P10636 2/20 0.39
TRPM8 Q7Z2W7 1/20 0.39
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 2/20 0.39

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
SCHEMBL4010739 0.86 SIRT2 (0.45) SIRT2SIRT1SIRT3HSD17B10MAPK1
SCHEMBL4007817 0.86 SIRT2 (0.45) SIRT2SIRT1SIRT3HSD17B10MAPK1
SCHEMBL8026733 0.80 SIRT2 (0.56) SIRT2SIRT1SIRT3HSD17B10MAPK1
SCHEMBL4017101 0.78 TSHR (0.43) SIRT2SIRT1SIRT3HSD17B10MAPK1
SCHEMBL8345138 0.76 SIRT2 (0.59) SIRT2SIRT1SIRT3HSD17B10RAB9A
SCHEMBL4008624 0.75 USP2 (0.41) SIRT2SIRT1SIRT3HSD17B10MAPK1
SCHEMBL8036853 0.73 SIRT2 (0.54) SIRT2SIRT1SIRT3HSD17B10MAPK1
SCHEMBL8022429 0.71 SIRT2 (0.52) SIRT2SIRT1SIRT3HSD17B10MAPK1
SCHEMBL8032162 0.71 SIRT2 (0.52) SIRT2SIRT1SIRT3HSD17B10MAPK1
SCHEMBL4011731 0.71 MAPT (0.41) SIRT2SIRT1SIRT3TSHRRAB9A

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