SCHEMBL16634568

SCHEMBL16634568

C=CC(=O)NCc1ccc([N+](=O)[O-])cc1B(O)O

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 3/20 0.46
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
CYP1A2 P05177 1/20 0.39
ALDH1A1 P00352 2/20 0.39
MAP2K7 O14733 1/20 0.38
POLB P06746 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
MAPT P10636 2/20 0.38
THRB P10828 1/20 0.37
PTPN1 P18031 1/20 0.37

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
SCHEMBL11192228 0.82 TGM2 (0.48) TGM2MEN1KMT2ACYP1A2ALDH1A1
SCHEMBL2144451 0.79 TGM2 (0.48) TGM2MEN1KMT2ACYP1A2ALDH1A1
SCHEMBL16634557 0.79 TGM2 (0.41) TGM2
SCHEMBL15333124 0.78 MAPT (0.44) MEN1KMT2ACYP1A2ALDH1A1POLB
SCHEMBL29757976 0.77 TGM2 (0.56) TGM2MEN1KMT2AALDH1A1MAP2K7
SCHEMBL4903618 0.75 TGM2 (0.61) TGM2MEN1KMT2AALDH1A1MAPT
SCHEMBL16634646 0.75 TGM2 (0.45) TGM2KMT2AALDH1A1TDP1
SCHEMBL31680492 0.75 TGM2 (0.56) TGM2MEN1KMT2AALDH1A1MAP2K7
SCHEMBL1517135 0.74 CYP1A2 (0.45) CYP1A2ALDH1A1POLBTDP1MAPT
SCHEMBL16634488 0.73 LOXL2 (0.46) CYP1A2ALDH1A1POLBTDP1THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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