SCHEMBL8024872

SCHEMBL8024872

CCOC(=O)c1c(C)nc(-c2ccc(Cl)cc2)nc1OCC(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.48
RAB9A P51151 2/20 0.48
TP53 P04637 2/20 0.48
HSD17B10 Q99714 1/20 0.48
TSHR P16473 4/20 0.47
POLB P06746 2/20 0.46
CYP1A2 P05177 1/20 0.46
TARBP2 Q15633 1/20 0.46
ALDH1A1 P00352 4/20 0.45
NPC1 O15118 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
MEN1 O00255 1/20 0.45
PKM P14618 1/20 0.45
KMT2A Q03164 1/20 0.45
LMNA P02545 3/20 0.45
NPSR1 Q6W5P4 3/20 0.45
HPGD P15428 1/20 0.45
MAPT P10636 4/20 0.44
MDM2 Q00987 1/20 0.44
TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL8030988 0.89 KDM4E (0.53) KDM4ERAB9ATP53HSD17B10TSHR
SCHEMBL8037202 0.89 KDM4E (0.46) KDM4ERAB9ATP53HSD17B10TSHR
SCHEMBL8031033 0.87 KDM4E (0.48) KDM4ERAB9AHSD17B10TSHRPOLB
SCHEMBL8036404 0.87 CYP1A2 (0.43) RAB9ATP53TSHRPOLBCYP1A2
SCHEMBL8034096 0.86 KDM4E (0.50) KDM4ERAB9ATP53HSD17B10TSHR
SCHEMBL8021662 0.86 KDM4E (0.50) KDM4ERAB9ATP53HSD17B10TSHR
SCHEMBL8031451 0.82 KDM4E (0.46) KDM4ERAB9ATP53HSD17B10TSHR
SCHEMBL8037293 0.81 LMNA (0.49) KDM4ERAB9ATP53HSD17B10TSHR
SCHEMBL8040695 0.81 CNR1 (0.46) KDM4ERAB9ATP53HSD17B10TSHR
SCHEMBL8031450 0.81 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