SCHEMBL14385243

SCHEMBL14385243

CC1(C)OCC(c2cc(-c3ccccc3)nc(OC(C(=O)O)c3ccccc3)c2C#N)O1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SQOR Q9Y6N5 6/20 0.38
PIM1 P11309 3/20 0.36
ALDH1A1 P00352 5/20 0.36
MAPT P10636 3/20 0.36
POLB P06746 3/20 0.36
LMNA P02545 2/20 0.36
PLA2G1B P04054 1/20 0.36
CRHBP P24387 1/20 0.36
MAPK1 P28482 1/20 0.36
CRHR2 Q13324 1/20 0.36
ATG4B Q9Y4P1 1/20 0.36
KDM4E B2RXH2 4/20 0.35
GAA P10253 2/20 0.35
NPC1 O15118 1/20 0.35
ATM Q13315 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
KMT2A Q03164 5/20 0.35
MEN1 O00255 3/20 0.35
HPGD P15428 2/20 0.35
HTT P42858 2/20 0.35

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
SCHEMBL14385643 0.94 ALDH1A1 (0.38) SQORPIM1ALDH1A1MAPTPOLB
SCHEMBL14385662 0.89 SQOR (0.37) SQORPIM1ALDH1A1MAPTPOLB
SCHEMBL14385272 0.89 SQOR (0.37) SQORPIM1ALDH1A1MAPTPOLB
SCHEMBL14385642 0.88 ALDH1A1 (0.37) PIM1ALDH1A1MAPTPOLBLMNA
SCHEMBL14385603 0.86 MEN1 (0.35) ALDH1A1POLBKDM4ENPC1KMT2A
SCHEMBL14385810 0.84 NPSR1 (0.34) SQORPIM1ALDH1A1MAPTPOLB
SCHEMBL14385873 0.79 PIM1 (0.40) SQORPIM1ALDH1A1MAPTPOLB
SCHEMBL14385814 0.79 KMT2A (0.34) ALDH1A1MAPTPOLBLMNAKDM4E
SCHEMBL14385583 0.77 CACNA1D (0.31)
SCHEMBL14392507 0.76 SQOR (0.34) SQORALDH1A1MAPTKDM4EGAA

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-2007124545-A1 INTEGRASE INHIBITORS - 2 AVEXA LIMITED (AU) 2007-11-08 WO disclosed