SCHEMBL9136144

SCHEMBL9136144

O=C(O)CN(CC(=O)O)CC(Cc1ccc([N+](=O)[O-])cc1)N(CC(=O)O)CC(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.49
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
LMNA P02545 1/20 0.41
CYP2C19 P33261 2/20 0.41
ALDH1A1 P00352 1/20 0.41
NPC1 O15118 1/20 0.40
TP53 P04637 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CYP1A2 P05177 1/20 0.40
TSHR P16473 1/20 0.40
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
MAOB P27338 1/20 0.39
SRD5A2 P31213 1/20 0.39
LOXL2 Q9Y4K0 1/20 0.38
CA2 P00918 1/20 0.38
GSK3B P49841 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
SCHEMBL10494760 0.94 KCNH2 (0.49) KCNH2MEN1KMT2ATDP1LMNA
SCHEMBL6527472 0.91 KCNH2 (0.47) KCNH2MEN1KMT2ATDP1LMNA
SCHEMBL28728445 0.91 KCNH2 (0.45) KCNH2MEN1KMT2ALMNAALDH1A1
SCHEMBL438993 0.90 KCNH2 (0.44) KCNH2MEN1KMT2ATDP1LMNA
SCHEMBL405660 0.90 KCNH2 (0.44) KCNH2MEN1KMT2ATDP1LMNA
SCHEMBL14598859 0.90 KCNH2 (0.44) KCNH2MEN1KMT2ATDP1LMNA
SCHEMBL6560916 0.87 KCNH2 (0.44) KCNH2MEN1KMT2ATDP1LMNA
SCHEMBL10787909 0.87 KCNH2 (0.53) KCNH2MEN1KMT2ALMNACYP2C19
Trifluoroacetic Acid SCHEMBL7806342 0.85 KCNH2 (0.40) KCNH2MEN1KMT2ALMNANPC1
SCHEMBL6562592 0.85 KCNH2 (0.40) KCNH2MEN1KMT2ATDP1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116577508-A Monoclonal antibody Ab614 fluorescent complex and application thereof 江苏博华医药科技有限公司 2023-08-11 CN disclosed
CN-114441749-B Application of novel multi-element aptamer molecules in magnetic bead immunochemiluminescence AFP 安源基因科技(上海)有限公司 2022-09-30 CN disclosed
CN-114441749-A Application of novel multi-element aptamer molecule in magnetic bead immunochemistry luminous AFP 安源基因科技(上海)有限公司 2022-05-06 CN disclosed
CN-114409578-A Preparation method of novel multi-aptamer molecule 安源基因科技(上海)有限公司 2022-04-29 CN disclosed
US-5455332-A Monoclonal antibody 155h.7; labelled for radioimmunology; tumor imaging agent; cancer marker BIOMIRA, INC. (CA) 1995-10-03 US disclosed
EP-0355860-A1 A bifunctional metal chelating agent and a precursor compound GANSOW, Otto A. (US) 1990-02-28 EP disclosed
EP-0315220-A1 Method of forming a metal chelate protein conjugate GANSOW, Otto A. (US) 1989-05-10 EP disclosed
US-4824986-A Metal chelate protein conjugate THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1989-04-25 US disclosed