SCHEMBL4016764

SCHEMBL4016764

Cc1nc(-c2ccc(Cl)cc2)nc(OC(C)C)c1OC(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.53
KDM4E B2RXH2 4/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
ALDH1A1 P00352 2/20 0.43
PKM P14618 1/20 0.43
NPSR1 Q6W5P4 3/20 0.43
HPGD P15428 2/20 0.43
TSHR P16473 2/20 0.43
POLB P06746 2/20 0.40
HSD17B10 Q99714 1/20 0.40
RXRA P19793 4/20 0.38
NR4A2 P43354 4/20 0.38
CNR1 P21554 1/20 0.37
GAA P10253 1/20 0.36
PDE10A Q9Y233 1/20 0.36
KCNH2 Q12809 1/20 0.36

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
SCHEMBL4015164 0.86 ATM (0.52) ATMKDM4EMEN1KMT2ANPC1
SCHEMBL4011715 0.82 KCNH2 (0.42) ATMKDM4EMEN1KMT2ANPC1
SCHEMBL4008876 0.82 ATM (0.48) ATMKDM4EMEN1KMT2ANPC1
SCHEMBL4016761 0.82 ATM (0.55) ATMKDM4EMEN1KMT2ANPC1
Hydrochloric Acid SCHEMBL4017566 0.78 NPSR1 (0.49) ATMKDM4EMEN1KMT2ANPC1
SCHEMBL4008882 0.77 KCNH2 (0.39) ATMKDM4EMEN1KMT2ANPC1
SCHEMBL8034096 0.76 KDM4E (0.50) ATMKDM4EMEN1KMT2ANPC1
SCHEMBL4014250 0.75 MEN1 (0.44) ATMKDM4EMEN1KMT2ANPC1
SCHEMBL4010260 0.75 ATM (0.45) ATMKDM4ERAB9ASMN1; SMN2ALDH1A1
SCHEMBL4015161 0.73 ATM (0.54) ATMKDM4EMEN1KMT2ANPC1

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