SCHEMBL2248049

SCHEMBL2248049

C=CC(=O)Nc1cc(B(O)O)ccc1[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48
TGM2 P21980 2/20 0.46
ALDH1A1 P00352 7/20 0.40
MAPT P10636 4/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
POLB P06746 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
KDM4E B2RXH2 1/20 0.40
HPGD P15428 1/20 0.40
DNMT1 P26358 1/20 0.40
HTT P42858 1/20 0.40
RECQL P46063 1/20 0.40
MCL1 Q07820 1/20 0.40
CTDSP1 Q9GZU7 1/20 0.40
RORC P51449 1/20 0.39
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
HCAR3 P49019 1/20 0.36

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
SCHEMBL16634476 0.89 ALDH1A1 (0.47) NPSR1RXFP1TGM2ALDH1A1MAPT
SCHEMBL2364684 0.87 TGM2 (0.37) NPSR1RXFP1TGM2RORC
SCHEMBL29951118 0.81 NPSR1 (0.50) NPSR1RXFP1ALDH1A1MAPTMEN1
SCHEMBL18765213 0.80 NPSR1 (0.50) NPSR1RXFP1TGM2ALDH1A1MAPT
SCHEMBL18256222 0.80 ALDH1A1 (0.56) NPSR1RXFP1TGM2ALDH1A1MAPT
SCHEMBL14750323 0.77 BTK (0.46) TGM2
SCHEMBL15356556 0.77 ITK (0.43) TGM2MEN1KMT2APOLB
SCHEMBL16634519 0.77 TGM2 (0.44) TGM2RORC
SCHEMBL29505642 0.76 KMT2A (0.63) NPSR1TGM2ALDH1A1MAPTMEN1
SCHEMBL195876 0.76 KMT2A (0.63) NPSR1TGM2ALDH1A1MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7988685-B2 Hydrogel compositions, devices, and microscale components REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2011-08-02 US claimed
US-20040248326-A1 Hydrogel compositions, devices, and microscale components REGENTS OF THE UNIVERSITY OF MINNESOTA 2004-12-09 US claimed
WO-2003051286-A2 HYDROGEL COMPOSITIONS, DEVICES, AND MICROSCALE COMPONENTS REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2003-06-26 WO claimed
US-7988685-B2 Hydrogel compositions, devices, and microscale components REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2011-08-02 US disclosed
US-20040248326-A1 Hydrogel compositions, devices, and microscale components REGENTS OF THE UNIVERSITY OF MINNESOTA 2004-12-09 US disclosed
WO-2003051286-A2 HYDROGEL COMPOSITIONS, DEVICES, AND MICROSCALE COMPONENTS REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2003-06-26 WO disclosed