SCHEMBL31416639

SCHEMBL31416639

CC(=O)Nc1ccc(-c2cccc(B(O)O)c2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.59
HTT P42858 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
MGLL Q99685 1/20 0.56
TRPV1 Q8NER1 1/20 0.50
AOC3 Q16853 2/20 0.49
HDAC1 Q13547 3/20 0.49
KMT2A Q03164 5/20 0.49
MEN1 O00255 4/20 0.49
MAPT P10636 4/20 0.49
ALDH1A1 P00352 3/20 0.49
HPGD P15428 3/20 0.49
KDM4E B2RXH2 3/20 0.49
RXFP1 Q9HBX9 2/20 0.49
NPSR1 Q6W5P4 1/20 0.49
CYP2C19 P33261 1/20 0.49
CYP17A1 P05093 1/20 0.47
CYP11B1 P15538 1/20 0.47
CYP11B2 P19099 1/20 0.47
PIP4K2A P48426 1/20 0.46

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
SCHEMBL15962127 1.00 SMN1; SMN2 (0.59) SMN1; SMN2HTTL3MBTL1MGLLTRPV1
SCHEMBL14847377 0.84 KIF11 (0.58) MGLLTRPV1MAPTALDH1A1GFER
SCHEMBL8930 0.82 ALDH1A1 (0.59) SMN1; SMN2L3MBTL1TRPV1KMT2AMEN1
SCHEMBL8577619 0.82 SMN1; SMN2 (0.70) SMN1; SMN2HTTL3MBTL1MGLLKMT2A
SCHEMBL2556313 0.81 MAPT (0.62) SMN1; SMN2HTTL3MBTL1KMT2AMEN1
SCHEMBL17316953 0.81 HTT (0.63) SMN1; SMN2HTTL3MBTL1AOC3HDAC1
SCHEMBL15962139 0.79 MGLL (0.61) SMN1; SMN2MGLLTRPV1KMT2AMAPT
SCHEMBL8265472 0.79 HSD17B10 (0.66) SMN1; SMN2HTTL3MBTL1AOC3HDAC1
SCHEMBL14830589 0.78 TRPV1 (0.53) SMN1; SMN2MGLLTRPV1HDAC1KMT2A
SCHEMBL23576901 0.78 HTT (0.63) SMN1; SMN2HTTL3MBTL1AOC3HDAC1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-122055371-A Faster automated iterative C-C bond formation 伊利诺伊大学评议会 2026-05-15 CN disclosed
WO-2025042679-A1 FASTER AUTOMATED ITERATIVE C-C BOND FORMATION THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2025-02-27 WO disclosed