SCHEMBL23486011

SCHEMBL23486011

Nc1ccc2nc3ccc(SN4CC(O)C4)cc3c(N3CC(O)C3)c2c1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ ACHE P22303 1/20 0.32
▸ KDM1A O60341 1/20 0.31
▸ SHMT2 P34897 2/20 0.31
▸ MAPT P10636 1/20 0.30

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
SCHEMBL23485953 0.81 ACHE (0.42) ALDH1A1ACHE
SCHEMBL23485990 0.78 RAD52 (0.43) KDM4EALDH1A1HPGDACHE
SCHEMBL23485836 0.74 PLAU (0.36) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL19903254 0.59 MAOA (0.34) —
SCHEMBL18344165 0.59 NPC1 (0.48) KDM4EALDH1A1HSD17B10MAPT
SCHEMBL18344232 0.59 — —
SCHEMBL20662471 0.58 DDB1 (0.36) ALDH1A1HPGDKDM1AMAPT
SCHEMBL23485976 0.57 TYMS (0.41) KDM4EACHEKDM1A
SCHEMBL3480837 0.57 KMT2A (0.67) KDM4EALDH1A1HSD17B10ACHEMAPT
SCHEMBL29922808 0.57 KMT2A (0.67) KDM4EALDH1A1HSD17B10ACHEMAPT

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-2021110280-A1 AMINOACRIDINE AND AMINOPYRENE DYES AND THEIR USE AS FLUORESCENT TAGS, IN PARTICULAR FOR CARBOHYDRATE ANALYSIS Max-Planck-Gesellschaft zur Förderung der Wissenschaften e. V. (DE) 2021-06-10 — — WO disclosed
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