SCHEMBL14385641

SCHEMBL14385641

Cc1ccc(-c2cc(C3CCCCC3)c(C#N)c(OC(C(=O)O)c3ccccc3)n2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.39
HPGD P15428 2/20 0.39
PPARG P37231 1/20 0.39
NCOA2 Q15596 1/20 0.39
NCOA1 Q15788 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
NCOA3 Q9Y6Q9 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
SQOR Q9Y6N5 3/20 0.38
GAA P10253 1/20 0.36
MAPT P10636 2/20 0.36
POLB P06746 1/20 0.36
ATM Q13315 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
IKBKB O14920 1/20 0.36
DHODH Q02127 1/20 0.36
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 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
SCHEMBL14385873 0.93 PIM1 (0.40) HPGDNPSR1ADORA2AADORA1SQOR
SCHEMBL14385841 0.88 SQOR (0.37) KDM4EHPGDPPARGNCOA2NCOA1
SCHEMBL14385270 0.83 KMT2A (0.40) KDM4EHPGDNPSR1ADORA2AADORA1
SCHEMBL14385248 0.79 KDM4E (0.61) KDM4EHPGDPPARGNCOA2NCOA1
SCHEMBL5414611 0.78 HPGD (0.54) KDM4EHPGDPPARGNCOA2NCOA1
SCHEMBL14385243 0.75 SQOR (0.38) KDM4EHPGDNPSR1SQORGAA
SCHEMBL14385829 0.74 SQOR (0.49) KDM4EHPGDNPSR1SQORMAPT
SCHEMBL14385643 0.74 ALDH1A1 (0.38) KDM4EHPGDPPARGNCOA2NCOA1
SCHEMBL14385648 0.74 SQOR (0.63) KDM4EHPGDNPSR1ADORA2AADORA1
SCHEMBL8401200 0.71 L3MBTL1 (0.49) KDM4EHPGDPPARGNCOA2NCOA1

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