SCHEMBL2912362

SCHEMBL2912362

C[N+](C)(C)CCOP(=O)(O)Oc1ccccc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.47
NPC1 O15118 2/20 0.47
RECQL P46063 2/20 0.47
ALDH1A1 P00352 7/20 0.44
TDP1 Q9NUW8 1/20 0.44
KMT2A Q03164 5/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
HTT P42858 1/20 0.42
MEN1 O00255 2/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
POLB P06746 1/20 0.38
HPGD P15428 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
SCHEMBL2912361 0.86 NPC1 (0.48) RAB9ANPC1RECQLALDH1A1TDP1
SCHEMBL9367346 0.82 ALDH1A1 (0.50) RAB9ANPC1RECQLALDH1A1TDP1
Phosphoric Acid SCHEMBL5395714 0.82 RAB9A (0.60) RAB9ANPC1RECQLALDH1A1TDP1
Choline SCHEMBL28307532 0.81 ALDH1A1 (0.45) RAB9ANPC1RECQLALDH1A1TDP1
SCHEMBL30679480 0.80 ALDH1A1 (0.56) RAB9ANPC1RECQLALDH1A1TDP1
SCHEMBL2474283 0.80 ALDH1A1 (0.56) RAB9ANPC1RECQLALDH1A1TDP1
SCHEMBL2474284 0.80 ALDH1A1 (0.56) RAB9ANPC1RECQLALDH1A1TDP1
SCHEMBL8641243 0.80 SRC (0.39) TDP1KMT2AMEN1MAPTKDM4E
SCHEMBL29170677 0.79 NPC1 (0.39) RAB9ANPC1RECQLALDH1A1TDP1
SCHEMBL3395881 0.79 SRC (0.38) NPC1RECQLALDH1A1TDP1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117442711-A Fusion proteins, recombinant bacteria and exosporium fragments for animal health and aquaculture 斯波根生物技术公司 2024-01-26 CN disclosed
WO-2012100018-A1 INHIBITORS OF AUTOTAXIN UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2012-07-26 WO disclosed
EP-1418429-B1 METHOD OF QUANTIFYING DENATURED LIPOPROTEIN KYOWA MEDEX CO LTD (JP) 2010-08-25 EP disclosed
US-20040241744-A1 Method of quantifying denatured lipoprotein, reagents for quantifying denatured lipoprotein, method of detecting circulatory disease and reagents for detecting circulatory disease KYOWA MEDEX CO. LTD. (JP) 2004-12-02 US disclosed
EP-1418429-A1 METHOD OF QUANTIFYING DENATURED LIPOPROTEIN, REAGENTS FOR QUANTIFYING DENATURED LIPOPROTEIN, METHOD OF DETECTING CIRCULATORY DISEASE AND REAGENTS FOR DETECTING CIRCULATORY DISEASE KYOWA MEDEX CO., LTD. (JP) 2004-05-12 EP disclosed
US-5910573-A NONCOVALENT DIMER OF TWO FUSION PROTEINS EACH HAVING SINGLE CHAIN VARIABILITY FRAGMENTS OF ANTIBODY, LINEAR PEPTIDE, AND AMPHIPHATIC HELICAL PEPTIDE FOR INTERACTION MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1999-06-08 US disclosed
EP-0654085-B1 MONOMERIC AND DIMERIC ANTIBODY-FRAGMENT FUSION PROTEINS MERCK PATENT GMBH (DE) 1997-04-02 EP disclosed