SCHEMBL11434865

SCHEMBL11434865

O=C1NC(=O)c2cc(NCCN3CCCCC3)cc3cccc1c23

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.45
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
PKM P14618 1/20 0.44
ATG4B Q9Y4P1 6/20 0.44
MAPT P10636 2/20 0.44
RAB9A P51151 2/20 0.44
POLB P06746 1/20 0.44
AHR P35869 1/20 0.44
RECQL P46063 1/20 0.44
APAF1 O14727 1/20 0.44
NPC1 O15118 1/20 0.44
NSD2 O96028 1/20 0.44
HTT P42858 1/20 0.44
BLM P54132 1/20 0.44
PARP1 P09874 1/20 0.43
PARG Q86W56 1/20 0.43
RAD52 P43351 1/20 0.42

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
SCHEMBL11440845 0.99 NPSR1 (0.46) NPSR1MEN1KMT2ASMN1; SMN2PKM
SCHEMBL10340127 0.84 MAPT (0.44) NPSR1MEN1KMT2ASMN1; SMN2ATG4B
SCHEMBL11447415 0.83 MEN1 (0.45) NPSR1MEN1KMT2ASMN1; SMN2PKM
SCHEMBL4084570 0.76 MEN1 (0.51) NPSR1MEN1KMT2ASMN1; SMN2PKM
SCHEMBL11447330 0.74 MEN1 (0.49) NPSR1MEN1KMT2ASMN1; SMN2PKM
SCHEMBL11440932 0.74 ATG4B (0.51) NPSR1MEN1KMT2ASMN1; SMN2PKM
SCHEMBL30426521 0.72 EHMT2 (0.44) NPSR1SMN1; SMN2MAPTRAB9AAPAF1
SCHEMBL11435038 0.72 ATG4B (0.49) NPSR1MEN1KMT2ASMN1; SMN2PKM
SCHEMBL11435578 0.68 MEN1 (0.57) NPSR1MEN1KMT2ASMN1; SMN2PKM
SCHEMBL27858086 0.67 NPSR1 (0.54) NPSR1MEN1KMT2ASMN1; SMN2PKM

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
US-4204063-A ANTITUMOR AGENTS LABORATORIOS MADE, S.A. (ES) 1980-05-20 US disclosed