SCHEMBL28942834

SCHEMBL28942834

CSc1ccc2c3c(cccc13)C(=O)N(CCC(=O)N1CCNCC1)C2=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.50
▸ KMT2A Q03164 4/20 0.50
▸ KDM4E B2RXH2 4/20 0.50
▸ RAB9A P51151 3/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ HSD17B10 Q99714 4/20 0.48
▸ GAA P10253 2/20 0.48
▸ HPGD P15428 2/20 0.48
▸ ALOX15 P16050 1/20 0.45
▸ TSHR P16473 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ MAPT P10636 3/20 0.41
▸ ACHE P22303 1/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ MAPK1 P28482 2/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ AVPR1A P37288 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ HTT P42858 1/20 0.40

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
SCHEMBL28942833 0.88 KMT2A (0.54) ALDH1A1KMT2AKDM4ERAB9ASMN1; SMN2
SCHEMBL28942842 0.84 KMT2A (0.49) ALDH1A1KMT2AKDM4ERAB9ASMN1; SMN2
SCHEMBL30149980 0.84 KMT2A (0.49) ALDH1A1KMT2AKDM4ERAB9ASMN1; SMN2
SCHEMBL28927483 0.79 ALDH1A1 (0.48) ALDH1A1KMT2AKDM4ERAB9ASMN1; SMN2
SCHEMBL30109008 0.79 ALDH1A1 (0.48) ALDH1A1KMT2AKDM4ERAB9ASMN1; SMN2
SCHEMBL28942835 0.72 CYP1B1 (0.57) ALDH1A1KMT2AKDM4ERAB9ASMN1; SMN2
SCHEMBL29009419 0.71 KMT2A (0.53) ALDH1A1KMT2AKDM4ERAB9ASMN1; SMN2
SCHEMBL30149981 0.71 CYP1B1 (0.52) ALDH1A1KMT2AKDM4ERAB9ASMN1; SMN2
SCHEMBL28942809 0.71 CYP1B1 (0.52) ALDH1A1KMT2AKDM4ERAB9ASMN1; SMN2
SCHEMBL7712260 0.70 POLB (0.59) ALDH1A1KMT2AKDM4ERAB9AHPGD

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115636786-A Simultaneously distinguishing Fe 2+ Synthesis and application of bifunctional fluorescent probe with glutathione 湖南师范大学 2023-01-24 — — CN claimed
CN-115636786-A Simultaneously distinguishing Fe 2+ Synthesis and application of bifunctional fluorescent probe with glutathione 湖南师范大学 2023-01-24 — — CN disclosed
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