SCHEMBL25322666

SCHEMBL25322666

CC(C)n1cc2ccc(B3OC(C)(C)C(C)(C)O3)cc2n1.CC1(C)OB(c2ccc(C=O)c([N+](=O)[O-])c2)OC1(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.37
MEN1 O00255 3/20 0.33
NPC1 O15118 3/20 0.33
RAB9A P51151 3/20 0.33
KMT2A Q03164 3/20 0.33
LMNA P02545 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
NFKB1 P19838 1/20 0.33
CASP3 P42574 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
SENP8 Q96LD8 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP6 Q9GZR1 1/20 0.33
IRAK4 Q9NWZ3 1/20 0.32
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 1/20 0.32
CYP3A4 P08684 1/20 0.32
ALOX15 P16050 1/20 0.32
PRKDC P78527 1/20 0.32

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
SCHEMBL25322323 0.85 MAPT (0.37) MAPTMEN1NPC1RAB9AKMT2A
SCHEMBL21801802 0.83 IRAK4 (0.42) IRAK4IDO1TDO2LPLLIPG
SCHEMBL25323249 0.83 MAPT (0.35) MAPTMEN1NPC1RAB9AKMT2A
SCHEMBL1237710 0.82 ALDH1A1 (0.41) MAPTKMT2AALDH1A1KDM4ECYP3A4
SCHEMBL17113535 0.76 IRAK4 (0.39) IRAK4IDO1TDO2LPLLIPG
SCHEMBL25428650 0.76 ERN1 (0.41) MAPTKMT2ALMNAALDH1A1KDM4E
SCHEMBL2933541 0.75 ALDH1A1 (0.41) MAPTKMT2AALDH1A1KDM4ECYP3A4
Acetic Acid SCHEMBL25322175 0.73 IDO1 (0.35) IRAK4IDO1TDO2LPLLIPG
SCHEMBL24873712 0.73 LPL (0.40) IRAK4IDO1TDO2LPLLIPG
Acetic Acid SCHEMBL25322169 0.72 IDO1 (0.37) IRAK4IDO1TDO2LPLLIPG

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-2023146990-A1 COMPOUNDS AND METHODS OF USE TANGO THERAPEUTICS, INC. (US) 2023-08-03 WO disclosed