SCHEMBL23706643

SCHEMBL23706643

C[CH]COc1cc(C(=O)NCC(F)(F)F)c(Cl)cc1F

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.42
RAB9A P51151 4/20 0.42
HPGD P15428 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ALDH1A1 P00352 1/20 0.42
POLB P06746 1/20 0.40
APEX1 P27695 1/20 0.40
PYGL P06737 2/20 0.37
HTT P42858 1/20 0.37
RECQL P46063 1/20 0.37
MAPT P10636 1/20 0.36
GAA P10253 1/20 0.36
ATM Q13315 1/20 0.35
SCN9A Q15858 1/20 0.35
PPARG P37231 2/20 0.34
PTGES O14684 1/20 0.34

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
SCHEMBL23706657 0.86 POLB (0.40) NPC1RAB9AHPGDSMN1; SMN2ALDH1A1
SCHEMBL23706707 0.81 NPC1 (0.40) NPC1RAB9AHPGDSMN1; SMN2ALDH1A1
SCHEMBL23706704 0.79 NPC1 (0.46) NPC1RAB9AHPGDSMN1; SMN2ALDH1A1
SCHEMBL23706598 0.77 NPC1 (0.38) NPC1RAB9AHPGDSMN1; SMN2ALDH1A1
SCHEMBL28840421 0.77 NPC1 (0.43) NPC1RAB9AHPGDSMN1; SMN2ALDH1A1
SCHEMBL28840402 0.76 NPC1 (0.37) NPC1RAB9AHPGDSMN1; SMN2ALDH1A1
SCHEMBL28840449 0.76 NPC1 (0.37) NPC1RAB9AHPGDSMN1; SMN2ALDH1A1
SCHEMBL28840456 0.76 NPC1 (0.37) NPC1RAB9AHPGDSMN1; SMN2ALDH1A1
SCHEMBL23706541 0.76 POLB (0.46) NPC1RAB9AHPGDSMN1; SMN2ALDH1A1
SCHEMBL28840830 0.76 AAK1 (0.43) NPC1RAB9AHPGDSMN1; SMN2ALDH1A1

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
WO-2021153720-A1 3-ALKOXY BENZOIC ACID AMIDE DERIVATIVE, AND PEST CONTROL AGENT クミアイ化学工業株式会社 2021-08-05 WO disclosed