SCHEMBL14390901

SCHEMBL14390901

COC(=O)c1ccc(COc2nc(-c3cccs3)cc(-c3ccoc3)c2N)c([N+](=O)[O-])c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGES O14684 1/20 0.38
▸ MEN1 O00255 6/20 0.36
▸ KMT2A Q03164 6/20 0.36
▸ RAB9A P51151 5/20 0.36
▸ MAPT P10636 5/20 0.36
▸ NPC1 O15118 4/20 0.36
▸ SMN1; SMN2 Q16637 3/20 0.36
▸ NFKB1 P19838 2/20 0.36
▸ NFKB2 Q00653 2/20 0.36
▸ RELA Q04206 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ CASP3 P42574 1/20 0.36
▸ SENP8 Q96LD8 1/20 0.36
▸ SENP7 Q9BQF6 1/20 0.36
▸ SENP6 Q9GZR1 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ ATM Q13315 1/20 0.36
▸ GAA P10253 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ LMNA P02545 1/20 0.34

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
SCHEMBL3586484 0.90 ALDH1A1 (0.41) PTGESMEN1KMT2ARAB9AMAPT
SCHEMBL3597444 0.81 PTGES (0.45) PTGESMEN1KMT2ARAB9AMAPT
SCHEMBL3597438 0.81 PTGES (0.45) PTGESMEN1KMT2ARAB9AMAPT
SCHEMBL14391004 0.79 MAPT (0.45) MEN1KMT2ARAB9AMAPTNPC1
SCHEMBL14390902 0.78 HPGD (0.36) PTGESMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL14391005 0.78 ADORA2A (0.40) MEN1KMT2ARAB9AMAPTNPC1
SCHEMBL3589044 0.77 ALDH1A1 (0.43) MEN1KMT2ARAB9AMAPTNPC1
SCHEMBL14390898 0.77 KMT2A (0.40) MEN1KMT2ARAB9AMAPTSMN1; SMN2
SCHEMBL14390693 0.74 ACMSD (0.46) —
SCHEMBL3592516 0.74 ALDH1A1 (0.46) MEN1KMT2ARAB9AMAPTNPC1

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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