SCHEMBL16634474

SCHEMBL16634474

C=CC(=O)Nc1ccc(B(O)O)c(C)c1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 12/20 0.57
F13A1 P00488 2/20 0.49
TGM1 P22735 2/20 0.49
LMNA P02545 1/20 0.49
TGM3 Q08188 1/20 0.49
GSTO1 P78417 1/20 0.45
EGFR P00533 1/20 0.44
NOX1 Q9Y5S8 1/20 0.43
EPHB4 P54760 1/20 0.43
TEK Q02763 1/20 0.43
THRA P10827 1/20 0.42
THRB P10828 1/20 0.42
RORC P51449 1/20 0.42
BTK Q06187 1/20 0.41

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
SCHEMBL30568681 0.83 TGM2 (0.65) TGM2F13A1TGM1LMNATGM3
SCHEMBL19386525 0.83 TGM2 (0.65) TGM2F13A1TGM1LMNATGM3
SCHEMBL28546969 0.80 TGM2 (0.61) TGM2F13A1TGM1LMNATGM3
SCHEMBL2554377 0.80 ALDH1A1 (0.56)
SCHEMBL29956001 0.80 ALDH1A1 (0.56)
SCHEMBL1369735 0.79 TGM2 (0.56) TGM2F13A1TGM1LMNATGM3
SCHEMBL15651709 0.79 TGM2 (0.59) TGM2F13A1TGM1LMNATGM3
SCHEMBL16523986 0.79 TGM2 (0.59) TGM2F13A1TGM1LMNATGM3
SCHEMBL16634497 0.78 TGM2 (0.46) TGM2F13A1TGM1LMNATGM3
SCHEMBL22895500 0.77 TGM2 (0.57) TGM2F13A1TGM1LMNATGM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115403568-B Quinazoline Aurora A covalent inhibitor and preparation method and application thereof 中山大学 2023-09-29 CN disclosed
CN-115403568-A Quinazoline Aurora A covalent inhibitor and preparation method and application thereof 中山大学 2022-11-29 CN disclosed
US-10088476-B2 Volume response sensors having analyte controlled reversible crosslinking THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2018-10-02 US disclosed
US-20160252505-A1 VOLUME RESPONSE SENSORS HAVING ANALYTE CONTROLLED REVERSIBLE CROSSLINKING THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOI S (US) 2016-09-01 US disclosed
WO-2015053975-A1 VOLUME RESPONSE SENSORS HAVING CONTROLLED REVERSIBLE CROSSLINKING THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2015-04-16 WO disclosed