SCHEMBL21156993

SCHEMBL21156993

O=C1CCC(=O)N1OCc1ccc(F)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.44
AGXT P21549 2/20 0.44
MAOB P27338 4/20 0.40
GRM5 P41594 1/20 0.40
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
MAPT P10636 2/20 0.40
ALOX12 P18054 1/20 0.40
POLB P06746 3/20 0.40
RECQL P46063 1/20 0.40
MAOA P21397 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
CYP2C9 P11712 2/20 0.39
PKM P14618 2/20 0.39
CYP2C19 P33261 2/20 0.39
NPC1 O15118 1/20 0.39
CYP1A2 P05177 1/20 0.39
RAB9A P51151 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL20997478 0.81 ALOX12 (0.54) IDO1MEN1KMT2AMAPTALOX12
SCHEMBL1929687 0.81 ALOX12 (0.54) IDO1MEN1KMT2AMAPTALOX12
Hydrochloric Acid SCHEMBL6606867 0.79 ALOX12 (0.53) IDO1AGXTMEN1KMT2AMAPT
SCHEMBL2208957 0.77 MGLL (0.44) MEN1KMT2AMAPTPOLBSMN1; SMN2
SCHEMBL9671323 0.75 MEN1 (0.71) GRM5MEN1KMT2AMAPTPOLB
SCHEMBL12680134 0.75 ALOX12 (0.39) MAOBMEN1KMT2AMAPTALOX12
SCHEMBL14153191 0.72 MEN1 (0.36) MEN1KMT2AMAPTALOX12POLB
SCHEMBL1598728 0.71 ALDH1A1 (0.42) MEN1KMT2AMAPTALOX12POLB
SCHEMBL40711 0.71 KMT2A (0.59) MEN1KMT2AMAPTPOLBRAB9A
SCHEMBL6193414 0.70 MGLL (0.44) MAOBMAPTMAOACYP2C9PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2922836-B1 NEW NUCLEOPHILE-REACTIVE SULFONATED COMPOUNDS FOR THE (RADIO)LABELLING OF (BIO)MOLECULES; PRECURSORS AND CONJUGATES THEREOF ADVANCED ACCELERATOR APPLICATIONS (FR) 2019-07-10 EP disclosed