SCHEMBL24196987

SCHEMBL24196987

Oc1ccccc1-c1ccc(S)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.65
▸ HPGD P15428 2/20 0.65
▸ HSD17B10 Q99714 2/20 0.65
▸ BCL2L1 Q07817 1/20 0.65
▸ KDM1A O60341 1/20 0.48
▸ ESR2 Q92731 1/20 0.48
▸ APP P05067 1/20 0.43
▸ BACE1 P56817 1/20 0.42
▸ ALOX5 P09917 1/20 0.41
▸ QPCT Q16769 2/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ CA12 O43570 1/20 0.41
▸ GMNN O75496 1/20 0.41
▸ EGFR P00533 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ FYN P06241 1/20 0.41

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
SCHEMBL714236 0.87 ALDH1A1 (0.83) ALDH1A1HPGDHSD17B10BCL2L1KDM1A
SCHEMBL29443997 0.87 ALDH1A1 (0.83) ALDH1A1HPGDHSD17B10BCL2L1KDM1A
SCHEMBL18189724 0.85 ALDH1A1 (0.79) ALDH1A1HPGDHSD17B10BCL2L1KDM1A
SCHEMBL30170547 0.82 ABL1 (0.42) ALDH1A1HPGDHSD17B10BCL2L1APP
SCHEMBL31166650 0.80 BCL2L1 (0.71) ALDH1A1HPGDHSD17B10BCL2L1KDM1A
SCHEMBL250077 0.80 BCL2L1 (0.71) ALDH1A1HPGDHSD17B10BCL2L1KDM1A
SCHEMBL3681826 0.80 ALDH1A1 (0.90) ALDH1A1HPGDHSD17B10BCL2L1KDM1A
SCHEMBL28366972 0.79 ALDH1A1 (1.00) ALDH1A1HPGDHSD17B10BCL2L1KDM1A
SCHEMBL8481452 0.79 HPGD (0.89) ALDH1A1HPGDHSD17B10BCL2L1KDM1A
2-Phenylphenol SCHEMBL14249267 0.79 ALDH1A1 (1.00) ALDH1A1HPGDHSD17B10BCL2L1KDM1A

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-2022008475-A1 INDOLE DERIVATIVES AND USES THEREOF FOR TREATING A CANCER UNIVERSITE CLAUDE BERNARD LYON 1 (FR) 2022-01-13 — — WO disclosed
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