SCHEMBL30130682

SCHEMBL30130682

O=C(O)Nc1cccc(C(F)(F)F)c1

nearest known ligand 0.75

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.75
MEN1 O00255 2/20 0.75
KMT2A Q03164 2/20 0.75
HTT P42858 2/20 0.75
RAB9A P51151 1/20 0.75
ALDH1A1 P00352 4/20 0.68
TP53 P04637 1/20 0.66
GAA P10253 2/20 0.64
NPSR1 Q6W5P4 2/20 0.64
XBP1 P17861 1/20 0.64
KCNK3 O14649 1/20 0.62
TDP1 Q9NUW8 1/20 0.62
SMN1; SMN2 Q16637 2/20 0.61
KDM4E B2RXH2 1/20 0.61
LMNA P02545 2/20 0.61
PKM P14618 1/20 0.60
P2RX1 P51575 1/20 0.60
GRIK1 P39086 2/20 0.60

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
SCHEMBL2096025 1.00 MAPT (0.75) MAPTMEN1KMT2AHTTRAB9A
Chlorobenzene SCHEMBL27823042 0.91 MAPT (0.68) MAPTMEN1KMT2AHTTRAB9A
SCHEMBL5597699 0.87 KMT2A (0.90) MAPTMEN1KMT2AHTTRAB9A
SCHEMBL30101230 0.87 KMT2A (0.90) MAPTMEN1KMT2AHTTRAB9A
SCHEMBL30069239 0.86 MAPT (1.00) MAPTMEN1KMT2AHTTRAB9A
SCHEMBL17609423 0.86 MAPT (1.00) MAPTMEN1KMT2AHTTRAB9A
SCHEMBL2295426 0.86 MAPT (0.71) MAPTMEN1KMT2AHTTRAB9A
SCHEMBL2093508 0.86 MAPT (0.57) MAPTMEN1KMT2AHTTRAB9A
SCHEMBL17925886 0.86 MEN1 (0.57) MAPTMEN1KMT2AHTTRAB9A
SCHEMBL2096021 0.85 MAPT (0.70) MAPTMEN1KMT2AHTTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024208256-A1 TARGETED PROTEIN DEGRADATION COMPOUND AND PREPARATION METHOD THEREFOR AND USE THEREOF 上海汇伦医药股份有限公司 2024-10-10 WO disclosed
WO-2022250069-A1 SULFUR-CONTAINING PYRAZOLE COMPOUND AND NOXIOUS ORGANISM CONTROL AGENT INCLUDING SULFUR-CONTAINING PYRAZOLE COMPOUND AS ACTIVE INGREDIENT 三井化学アグロ株式会社 2022-12-01 WO disclosed