SCHEMBL8034096

SCHEMBL8034096

CCOC(=O)c1c(C)nc(-c2ccc(Cl)cc2)nc1OC(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.50
RAB9A P51151 5/20 0.50
HSD17B10 Q99714 2/20 0.50
TP53 P04637 1/20 0.50
TSHR P16473 5/20 0.49
ATM Q13315 1/20 0.48
TARBP2 Q15633 1/20 0.47
ALDH1A1 P00352 5/20 0.47
NPC1 O15118 4/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
PKM P14618 1/20 0.47
NPSR1 Q6W5P4 4/20 0.46
LMNA P02545 3/20 0.46
HPGD P15428 3/20 0.46
MAPT P10636 4/20 0.46
POLB P06746 3/20 0.45
CYP1A2 P05177 1/20 0.45
GAA P10253 3/20 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
SCHEMBL8030927 0.88 ATM (0.46) KDM4ERAB9AHSD17B10TP53TSHR
SCHEMBL8030988 0.86 KDM4E (0.53) KDM4ERAB9AHSD17B10TP53TSHR
SCHEMBL8024872 0.86 KDM4E (0.48) KDM4ERAB9AHSD17B10TP53TSHR
SCHEMBL8034316 0.86 KDM4E (0.44) KDM4ERAB9AHSD17B10TP53TSHR
SCHEMBL4016761 0.85 ATM (0.55) KDM4ERAB9AHSD17B10TSHRATM
SCHEMBL8037202 0.84 KDM4E (0.46) KDM4ERAB9AHSD17B10TP53TSHR
SCHEMBL8021662 0.83 KDM4E (0.50) KDM4ERAB9AHSD17B10TP53TSHR
SCHEMBL8036018 0.82 KDM4E (0.56) KDM4ERAB9AHSD17B10TP53TSHR
SCHEMBL8031451 0.82 KDM4E (0.46) KDM4ERAB9AHSD17B10TP53TSHR
SCHEMBL8039256 0.81 KDM4E (0.50) KDM4ERAB9AHSD17B10TP53TSHR

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