SCHEMBL16634476

SCHEMBL16634476

C=CC(=O)Nc1ccc(B(O)O)cc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
TGM2 P21980 1/20 0.46
MAPT P10636 4/20 0.43
HCAR3 P49019 2/20 0.41
RAB9A P51151 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
NPC1 O15118 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
HTT P42858 2/20 0.40
RXFP1 Q9HBX9 1/20 0.39
RORC P51449 1/20 0.39
MAPK1 P28482 1/20 0.39
APP P05067 1/20 0.39
MEN1 O00255 1/20 0.38
CYP2C19 P33261 1/20 0.38
KMT2A Q03164 1/20 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
SCHEMBL2248049 0.89 NPSR1 (0.48) ALDH1A1TGM2MAPTHCAR3SMN1; SMN2
SCHEMBL23088824 0.84 ALDH1A1 (0.54) ALDH1A1MAPTHCAR3RAB9ASMN1; SMN2
SCHEMBL13650005 0.81 MAPT (0.61) ALDH1A1MAPTHCAR3RAB9ASMN1; SMN2
SCHEMBL22807394 0.80 ALDH1A1 (0.71) ALDH1A1TGM2MAPTRAB9ASMN1; SMN2
SCHEMBL2364684 0.79 TGM2 (0.37) TGM2NPSR1RXFP1RORC
SCHEMBL2318464 0.79 HCAR3 (0.65) HCAR3MEN1KMT2A
SCHEMBL18764684 0.77 MAPT (0.51) ALDH1A1TGM2MAPTHCAR3RAB9A
SCHEMBL29505853 0.77 MAPT (0.51) ALDH1A1TGM2MAPTHCAR3RAB9A
SCHEMBL28900078 0.77 TTR (0.45) TGM2MAPTHTT
SCHEMBL28900184 0.77 TGM2 (0.44) ALDH1A1TGM2SMN1; SMN2HTTRORC

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