SCHEMBL8039256

SCHEMBL8039256

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.50
RAB9A P51151 4/20 0.50
TP53 P04637 2/20 0.50
HSD17B10 Q99714 1/20 0.50
TSHR P16473 4/20 0.49
TARBP2 Q15633 1/20 0.47
ALDH1A1 P00352 6/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
NPC1 O15118 3/20 0.47
MEN1 O00255 1/20 0.47
PKM P14618 1/20 0.47
KMT2A Q03164 1/20 0.47
LMNA P02545 4/20 0.46
NPSR1 Q6W5P4 3/20 0.46
HPGD P15428 3/20 0.46
HTT P42858 1/20 0.44
MAPT P10636 4/20 0.44
PRKCZ Q05513 1/20 0.44
TRPM8 Q7Z2W7 1/20 0.44
GAA P10253 2/20 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
SCHEMBL8033374 0.86 KDM4E (0.50) KDM4ERAB9ATP53HSD17B10TSHR
SCHEMBL8036018 0.82 KDM4E (0.56) KDM4ERAB9ATP53HSD17B10TSHR
SCHEMBL4011731 0.81 MAPT (0.41) KDM4ERAB9ATSHRTARBP2ALDH1A1
SCHEMBL8034096 0.81 KDM4E (0.50) KDM4ERAB9ATP53HSD17B10TSHR
SCHEMBL8043414 0.81 TARBP2 (0.46) KDM4ERAB9ATP53HSD17B10TSHR
SCHEMBL22573316 0.80 KDM4E (0.76) KDM4ERAB9ATP53HSD17B10TSHR
SCHEMBL8041719 0.80 TSHR (0.59) KDM4ERAB9ATP53HSD17B10TSHR
SCHEMBL8024872 0.79 KDM4E (0.48) KDM4ERAB9ATP53HSD17B10TSHR
SCHEMBL8030988 0.79 KDM4E (0.53) KDM4ERAB9ATP53HSD17B10TSHR
SCHEMBL8031450 0.78 CYP1A2 (0.47) KDM4ERAB9ATP53HSD17B10TSHR

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