SCHEMBL4011709

SCHEMBL4011709

CCOC(=O)Oc1c(C)nc(-c2ccc(Cl)cc2)nc1OCCC(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.41
ALDH1A1 P00352 4/20 0.41
LMNA P02545 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
DHPS P49366 1/20 0.41
KCNH2 Q12809 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
POLB P06746 2/20 0.39
CYP1A2 P05177 1/20 0.39
RAB9A P51151 3/20 0.39
KDM4E B2RXH2 4/20 0.38
NPSR1 Q6W5P4 3/20 0.38
TARBP2 Q15633 1/20 0.38
HPGD P15428 3/20 0.38
TSHR P16473 2/20 0.38
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
NPC1 O15118 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
PKM P14618 1/20 0.37

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
SCHEMBL4011715 0.88 KCNH2 (0.42) MAPTALDH1A1LMNATDP1DHPS
SCHEMBL8037202 0.83 KDM4E (0.46) MAPTALDH1A1LMNATDP1KCNH2
SCHEMBL4009770 0.83 MAPT (0.37) MAPTALDH1A1LMNATDP1DHPS
SCHEMBL4009317 0.81 CNR1 (0.40) MAPTALDH1A1DHPSKCNH2SIGMAR1
SCHEMBL4014170 0.81 MAPT (0.43) MAPTALDH1A1LMNATDP1DHPS
SCHEMBL4011731 0.81 MAPT (0.41) MAPTALDH1A1LMNATDP1CYP1A2
SCHEMBL4007693 0.80 CNR1 (0.42) ALDH1A1LMNAKCNH2SIGMAR1POLB
SCHEMBL4011712 0.79 KDM4E (0.46) ALDH1A1KCNH2SIGMAR1POLBRAB9A
SCHEMBL4010263 0.78 DHPS (0.41) MAPTALDH1A1LMNATDP1DHPS
SCHEMBL4010260 0.74 ATM (0.45) MAPTALDH1A1LMNATDP1POLB

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