SCHEMBL29200423

SCHEMBL29200423

O=C(Nc1cccc(Br)c1)Nc1ccccc1CCl

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER3 P43115 1/20 0.60
GRIK1 P39086 3/20 0.57
PARP1 P09874 2/20 0.56
MEN1 O00255 4/20 0.54
KMT2A Q03164 4/20 0.54
MAPT P10636 3/20 0.54
GRIK2 Q13002 2/20 0.54
TRPV1 Q8NER1 1/20 0.54
STING1 Q86WV6 1/20 0.54
LMNA P02545 4/20 0.49
HTT P42858 3/20 0.49
DDX3X O00571 1/20 0.49
GAA P10253 1/20 0.49
RAB9A P51151 4/20 0.48
NPC1 O15118 3/20 0.48
ALDH1A1 P00352 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
CASP3 P42574 1/20 0.47
SENP8 Q96LD8 1/20 0.47
SENP7 Q9BQF6 1/20 0.47

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
SCHEMBL30802676 0.87 STING1 (0.59) PTGER3GRIK1PARP1MEN1KMT2A
SCHEMBL23831933 0.87 STING1 (0.59) PTGER3GRIK1PARP1MEN1KMT2A
SCHEMBL23831777 0.85 TRPV1 (0.57) PTGER3GRIK1PARP1MEN1KMT2A
SCHEMBL29200391 0.84 MEN1 (0.66) PTGER3GRIK1MEN1KMT2AMAPT
SCHEMBL29200433 0.84 SMN1; SMN2 (0.59) GRIK1MEN1KMT2AMAPTLMNA
SCHEMBL29200372 0.83 MEN1 (0.78) PTGER3GRIK1MEN1KMT2AMAPT
SCHEMBL29200404 0.83 PTGER3 (0.60) PTGER3MEN1KMT2AMAPTTRPV1
SCHEMBL29200357 0.82 PARP1 (0.57) GRIK1PARP1MEN1KMT2AMAPT
SCHEMBL30802722 0.82 PARP1 (0.57) GRIK1PARP1MEN1KMT2AMAPT
SCHEMBL29200415 0.81 NTRK1 (0.54) GRIK1PARP1MEN1KMT2AMAPT

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
CN-117658868-A Benzamide derivative and preparation method and application thereof 中山大学 2024-03-08 CN disclosed