SCHEMBL29200372

SCHEMBL29200372

O=C(Nc1cccc(F)c1)Nc1ccccc1CCl

nearest known ligand 0.78

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.78
KMT2A Q03164 7/20 0.78
MAPT P10636 4/20 0.78
RAB9A P51151 5/20 0.61
PTGER3 P43115 1/20 0.60
HTT P42858 2/20 0.55
GRIK1 P39086 1/20 0.54
TRPV1 Q8NER1 1/20 0.54
NPC1 O15118 3/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
LMNA P02545 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
PKM P14618 1/20 0.52
MTOR P42345 1/20 0.51
TAAR1 Q96RJ0 1/20 0.51
MARS1 P56192 1/20 0.50

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
SCHEMBL30802670 0.87 MEN1 (0.80) MEN1KMT2AMAPTRAB9APTGER3
SCHEMBL23831937 0.87 MEN1 (0.80) MEN1KMT2AMAPTRAB9APTGER3
SCHEMBL30105167 0.87 MEN1 (0.80) MEN1KMT2AMAPTRAB9APTGER3
SCHEMBL23831706 0.85 MEN1 (0.76) MEN1KMT2AMAPTRAB9APTGER3
SCHEMBL29200391 0.84 MEN1 (0.66) MEN1KMT2AMAPTRAB9APTGER3
SCHEMBL29200433 0.84 SMN1; SMN2 (0.59) MEN1KMT2AMAPTRAB9AHTT
SCHEMBL29200423 0.83 PTGER3 (0.60) MEN1KMT2AMAPTRAB9APTGER3
SCHEMBL29200404 0.83 PTGER3 (0.60) MEN1KMT2AMAPTRAB9APTGER3
SCHEMBL30802661 0.82 RAB9A (0.65) MEN1KMT2AMAPTRAB9AGRIK1
SCHEMBL29200400 0.82 RAB9A (0.65) MEN1KMT2AMAPTRAB9AGRIK1

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