SCHEMBL24864729

SCHEMBL24864729

Cn1c(=O)c(C(=O)c2ccc(C(F)(F)F)cc2)c(O)c2ccccc21

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.60
▸ MEN1 O00255 10/20 0.57
▸ KMT2A Q03164 10/20 0.57
▸ GAA P10253 2/20 0.57
▸ KDM4E B2RXH2 4/20 0.53
▸ PGR P06401 1/20 0.52
▸ NPC1 O15118 6/20 0.51
▸ RAB9A P51151 5/20 0.51
▸ NLRP3 Q96P20 3/20 0.51
▸ CRHBP P24387 1/20 0.51
▸ CRHR2 Q13324 1/20 0.51
▸ LMNA P02545 2/20 0.50
▸ TP53 P04637 2/20 0.50
▸ NPSR1 Q6W5P4 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ ALOX15 P16050 1/20 0.48
▸ USP2 O75604 1/20 0.48
▸ MAPT P10636 1/20 0.48
▸ HTT P42858 1/20 0.48
▸ PPARG P37231 1/20 0.48

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
SCHEMBL24864974 0.85 KMT2A (0.66) ALDH1A1MEN1KMT2AGAAKDM4E
SCHEMBL24864976 0.85 ALDH1A1 (0.72) ALDH1A1MEN1KMT2AGAAKDM4E
SCHEMBL30804578 0.85 ALDH1A1 (0.72) ALDH1A1MEN1KMT2AGAAKDM4E
SCHEMBL15154229 0.83 NPC1 (0.64) ALDH1A1MEN1KMT2AGAAKDM4E
Water SCHEMBL30804585 0.82 ALDH1A1 (0.68) ALDH1A1MEN1KMT2AGAAKDM4E
SCHEMBL27212330 0.80 ALDH1A1 (0.52) ALDH1A1MEN1KMT2AGAAKDM4E
SCHEMBL24864731 0.80 KMT2A (0.65) ALDH1A1MEN1KMT2AGAAKDM4E
SCHEMBL30804603 0.79 ALDH1A1 (0.59) ALDH1A1MEN1KMT2AGAAKDM4E
SCHEMBL27212336 0.79 ALDH1A1 (0.59) ALDH1A1MEN1KMT2AGAAKDM4E
SCHEMBL15154118 0.77 NPC1 (0.65) ALDH1A1MEN1KMT2AKDM4ENPC1

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-2023282236-A1 RARE EARTH COMPLEX 東ソー株式会社 2023-01-12 — — WO disclosed
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