SCHEMBL25437589

SCHEMBL25437589

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

nearest known ligand 0.70

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.70
MAPT P10636 7/20 0.68
LMNA P02545 3/20 0.68
PKM P14618 2/20 0.68
HTT P42858 2/20 0.68
MEN1 O00255 3/20 0.67
KMT2A Q03164 3/20 0.67
NPSR1 Q6W5P4 3/20 0.67
HSP90AA1 P07900 1/20 0.67
GAA P10253 3/20 0.65
RAB9A P51151 1/20 0.64
TP53 P04637 1/20 0.60
XBP1 P17861 1/20 0.59
MAOB P27338 1/20 0.57
RXFP1 Q9HBX9 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
SMN1; SMN2 Q16637 2/20 0.56
P2RX1 P51575 1/20 0.56

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
SCHEMBL5037103 0.85 ALDH1A1 (0.68) ALDH1A1MAPTLMNAPKMHTT
SCHEMBL12189449 0.84 ALDH1A1 (0.72) ALDH1A1MAPTLMNAPKMHTT
SCHEMBL8574354 0.83 ALDH1A1 (0.65) ALDH1A1MAPTLMNAPKMHTT
SCHEMBL8574351 0.83 ALDH1A1 (0.65) ALDH1A1MAPTLMNAPKMHTT
SCHEMBL12835314 0.83 ALDH1A1 (1.00) ALDH1A1MAPTLMNAPKMHTT
SCHEMBL5597699 0.82 KMT2A (0.90) ALDH1A1MAPTLMNAHTTMEN1
SCHEMBL30101230 0.82 KMT2A (0.90) ALDH1A1MAPTLMNAHTTMEN1
SCHEMBL2096025 0.81 MAPT (0.75) ALDH1A1MAPTLMNAPKMHTT
SCHEMBL2096021 0.81 MAPT (0.70) ALDH1A1MAPTLMNAPKMHTT
SCHEMBL4548162 0.81 KMT2A (0.87) ALDH1A1MAPTLMNAHTTMEN1

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-2023105516-A2 A PROCESS FOR PREPARING N-SUBSTITUTED ACETAMIDE ADAMA AGAN LTD. (IL) 2023-06-15 WO claimed