SCHEMBL14391004

SCHEMBL14391004

COC(=O)c1ccc(Oc2nc(-c3cccs3)cc(-c3ccoc3)c2N)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 9/20 0.45
▸ NPC1 O15118 2/20 0.45
▸ ATM Q13315 2/20 0.45
▸ TP53 P04637 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ KMT2A Q03164 8/20 0.40
▸ MEN1 O00255 5/20 0.40
▸ KDM4E B2RXH2 5/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ LMNA P02545 3/20 0.39
▸ MAPK1 P28482 2/20 0.39
▸ F2 P00734 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ L3MBTL1 Q9Y468 3/20 0.38
▸ CRHBP P24387 1/20 0.38
▸ CRHR2 Q13324 1/20 0.38
▸ TLR9 Q9NR96 1/20 0.38
▸ ALDH1A1 P00352 5/20 0.38
▸ HPGD P15428 4/20 0.38
▸ NPSR1 Q6W5P4 3/20 0.38

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
SCHEMBL14391005 0.91 ADORA2A (0.40) MAPTNPC1ATMTP53RAB9A
SCHEMBL3586886 0.88 ALDH1A1 (0.48) MAPTNPC1ATMTP53RAB9A
SCHEMBL14391098 0.81 MAPT (0.43) MAPTNPC1ATMTP53RAB9A
SCHEMBL14391010 0.81 ALDH1A1 (0.43) MAPTATMKMT2AMEN1KDM4E
SCHEMBL3586638 0.80 ALDH1A1 (0.48) MAPTNPC1ATMTP53RAB9A
SCHEMBL14390901 0.79 PTGES (0.38) MAPTNPC1ATMTP53RAB9A
SCHEMBL3577981 0.77 KMT2A (0.47) MAPTKMT2AMEN1KDM4ESMN1; SMN2
SCHEMBL3592516 0.77 ALDH1A1 (0.46) MAPTNPC1ATMTP53RAB9A
SCHEMBL14390898 0.76 KMT2A (0.40) MAPTRAB9AKMT2AMEN1KDM4E
SCHEMBL3594915 0.76 KMT2A (0.43) MAPTKMT2AMEN1KDM4ESMN1; SMN2

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-2007124546-A1 INTEGRASE INHIBITORS 3 AVEXA LIMITED (AU) 2007-11-08 — — WO disclosed
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