SCHEMBL9596298

SCHEMBL9596298

O=C(ON1C(=O)CCC1=O)c1ccc(CBr)cc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
ALDH1A1 P00352 2/20 0.38
HPGD P15428 1/20 0.38
KMT2A Q03164 5/20 0.35
MEN1 O00255 2/20 0.35
KDM4E B2RXH2 1/20 0.35
LOXL2 Q9Y4K0 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA9 Q16790 1/20 0.34
MGLL Q99685 3/20 0.34
HDAC1 Q13547 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
LMNA P02545 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL300884 0.86 CA12 (0.42) ALDH1A1HPGDKMT2AMEN1KDM4E
SCHEMBL9743869 0.85 HPGD (0.38) ALDH1A1HPGDKMT2AMEN1LOXL2
SCHEMBL17071632 0.85 ALDH1A1 (0.47) ALDH1A1HPGDKMT2AMEN1LOXL2
SCHEMBL13845025 0.84 LOXL2 (0.53) ALDH1A1HPGDKMT2AMEN1LOXL2
SCHEMBL17208731 0.84 CA1 (0.44) ALDH1A1HPGDKMT2AMEN1KDM4E
SCHEMBL20278541 0.83 ALDH1A1 (0.40) ALDH1A1HPGDKMT2AMEN1KDM4E
SCHEMBL16426741 0.82 LOXL2 (0.40) ALDH1A1KMT2ALOXL2MGLL
SCHEMBL1800956 0.81 PTPRF (0.44) CES2CES1ALDH1A1HPGDKDM4E
SCHEMBL8759248 0.81 CA2 (0.43) ALDH1A1HPGDKMT2AMEN1LOXL2
SCHEMBL20278536 0.81 POLB (0.41) ALDH1A1HPGDKMT2AMEN1LOXL2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3408349-B1 CHEMILUMINESCENT FLUOROPHOR-LINKED ADAMANTYLENE-DIOXETANE PROBES AS DIAGNOSTICS OR IN-VIVO IMAGING SENSORS UNIV RAMOT (IL) 2021-03-31 EP disclosed
WO-2017130191-A1 CHEMILUMINESCENT PROBES FOR DIAGNOSTICS AND IN VIVO IMAGING RAMOT AT TEL-AVIV UNIVERSITY LTD. (IL) 2017-08-03 WO disclosed
US-5248770-A Labels such as fluorescent or radioactive compounds THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1993-09-28 US disclosed
US-5098996-A Fluorination of compounds for use in diagnosis of nuclear medicine THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1992-03-24 US disclosed