SCHEMBL121810

SCHEMBL121810

O=C(O)Cc1cc2c(cc1[N+](=O)[O-])OCO2

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.54
KMT2A Q03164 5/20 0.54
MAPT P10636 5/20 0.54
L3MBTL1 Q9Y468 4/20 0.54
POLB P06746 1/20 0.54
MCL1 Q07820 1/20 0.54
CYP1A2 P05177 3/20 0.54
ALDH1A1 P00352 7/20 0.52
TDP1 Q9NUW8 3/20 0.51
SRC P12931 1/20 0.49
MET P08581 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
KDM4E B2RXH2 2/20 0.45
CYP3A4 P08684 2/20 0.45
CYP2C19 P33261 2/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
TXNRD1 Q16881 1/20 0.44
TXNRD3 Q86VQ6 1/20 0.44

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
SCHEMBL3894477 0.86 MAPT (0.57) MEN1KMT2AMAPTL3MBTL1POLB
SCHEMBL9834050 0.82 PDGFRB (0.58) MEN1KMT2AMAPTL3MBTL1POLB
SCHEMBL669313 0.81 MAPT (0.59) MEN1KMT2AMAPTL3MBTL1POLB
SCHEMBL6517787 0.81 ALDH1A1 (0.52) MEN1KMT2AMAPTL3MBTL1POLB
SCHEMBL25333103 0.81 KMT2A (0.48) MEN1KMT2AMAPTL3MBTL1POLB
SCHEMBL10534396 0.80 ALDH1A1 (0.50) MEN1KMT2APOLBCYP1A2ALDH1A1
Methane SCHEMBL9392239 0.80 MAPT (0.57) MEN1KMT2AMAPTL3MBTL1POLB
SCHEMBL126110 0.80 MAPT (0.61) MEN1KMT2AMAPTL3MBTL1POLB
SCHEMBL29042545 0.79 MEN1 (0.56) MEN1KMT2AMAPTL3MBTL1POLB
SCHEMBL668093 0.79 MAPT (0.56) MEN1KMT2AMAPTL3MBTL1POLB

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
EP-2159290-B1 Method of producing microarray having immobilized double-stranded nucleic acid probe including double-stranded region and single-stranded region SAMSUNG ELECTRONICS CO LTD (KR) 2012-03-07 EP disclosed
US-20100052207-A1 Method of Preparing Microarray by Using Optically Transparent Array Mold with Concave Portion SAMSUNG ELECTRONICS CO., LTD. (KR) 2010-03-04 US disclosed
US-20100056397-A1 Method of Producing Microarray Having Immobilized Double-Stranded Nucleic Acid Probe Including Double-Stranded Region and Single-Stranded Region SAMSUNG ELECTRONICS CO., LTD. (KR) 2010-03-04 US disclosed
EP-2159290-A1 Method of producing microarray having immobilized double-stranded nucleic acid probe including double-stranded region and single-stranded region Samsung Electronics Co., Ltd. (KR) 2010-03-03 EP disclosed
WO-2007131310-A1 ANTI-INFLAMMATORY AND ANALGESIC PHARMACEUTICAL COMPOSITION CONTAINING SAFROLE N-ACYLHYDRAZONE DERIVATIVES, USE, AND METHOD OF PREPARATION UNIVERSIDADE FEDERAL DO RIO DE JANEIRO - UFRJ (BR) 2007-11-22 WO disclosed