SCHEMBL9572913

SCHEMBL9572913

COCCCNC(=O)Oc1cc(OC(=O)NCCCO)ccn1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
HPGD P15428 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
GAA P10253 1/20 0.40
KDM4E B2RXH2 1/20 0.39
HTT P42858 1/20 0.39
KDM4C Q9H3R0 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
EGLN1 Q9GZT9 1/20 0.39
LOX P28300 1/20 0.39
LOXL2 Q9Y4K0 1/20 0.39
NPC1 O15118 1/20 0.38
LMNA P02545 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL9706016 0.89 ALDH1A1 (0.43) ALDH1A1HPGDMEN1KMT2AGAA
SCHEMBL9367679 0.89 HPGD (0.44) ALDH1A1HPGDMEN1KMT2AKDM4E
SCHEMBL9706010 0.89 HPGD (0.44) ALDH1A1HPGDMEN1KMT2AGAA
SCHEMBL8782005 0.88 ALDH1A1 (0.43) ALDH1A1HPGDMEN1KMT2AGAA
SCHEMBL9354128 0.87 LOXL2 (0.48) HPGDLOXLOXL2
SCHEMBL8782221 0.84 SMN1; SMN2 (0.37) SMN1; SMN2
SCHEMBL9566743 0.83 ALDH1A1 (0.44) ALDH1A1HPGDMEN1KMT2AGAA
SCHEMBL9706102 0.81 LOXL2 (0.46) HPGDGAALOXLOXL2NPC1
SCHEMBL9706023 0.81 LOXL2 (0.46) HPGDLOXLOXL2SMN1; SMN2
SCHEMBL9572972 0.81 LOXL2 (0.46) HPGDLOXLOXL2NPC1RAB9A

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-0541042-A1 2,4- and 2,5-pyridine-dicarboxylic acid derivatives, process for their preparation and their use HOECHST AKTIENGESELLSCHAFT (DE) 1993-05-12 EP disclosed