SCHEMBL27451289

SCHEMBL27451289

CC(=O)NCCCC(=O)Nc1ccc(-c2nc3ccccc3s2)nc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 9/20 0.53
▸ RAB9A P51151 7/20 0.48
▸ KDM4E B2RXH2 6/20 0.48
▸ SMN1; SMN2 Q16637 6/20 0.48
▸ NPC1 O15118 6/20 0.48
▸ MEN1 O00255 4/20 0.48
▸ KMT2A Q03164 4/20 0.48
▸ PKM P14618 2/20 0.48
▸ ALDH1A1 P00352 2/20 0.48
▸ HPGD P15428 1/20 0.48
▸ NFKB1 P19838 1/20 0.48
▸ HTT P42858 1/20 0.48
▸ NFKB2 Q00653 1/20 0.48
▸ CACNA1B Q00975 1/20 0.48
▸ APBA1 Q02410 1/20 0.48
▸ RELA Q04206 1/20 0.48
▸ LMNA P02545 2/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47

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
SCHEMBL27452210 0.89 MAPT (0.53) MAPTRAB9AKDM4ESMN1; SMN2NPC1
SCHEMBL27451638 0.86 MAPT (0.64) MAPTRAB9AKDM4ESMN1; SMN2NPC1
SCHEMBL27452355 0.83 MAPT (0.63) MAPTRAB9AKDM4ESMN1; SMN2NPC1
SCHEMBL27452862 0.82 MAPT (0.47) MAPTRAB9AKDM4ESMN1; SMN2NPC1
SCHEMBL27452888 0.82 MAPT (0.61) MAPTRAB9AKDM4ESMN1; SMN2NPC1
SCHEMBL27452351 0.82 MAPT (0.77) MAPTRAB9AKDM4ESMN1; SMN2NPC1
SCHEMBL27452146 0.81 NPC1 (0.55) MAPTRAB9AKDM4ESMN1; SMN2NPC1
SCHEMBL27452354 0.80 MAPT (0.60) MAPTRAB9AKDM4ESMN1; SMN2NPC1
SCHEMBL27451199 0.80 RAB9A (0.67) MAPTRAB9AKDM4ESMN1; SMN2NPC1
SCHEMBL27452724 0.79 MAPT (0.67) MAPTRAB9AKDM4ESMN1; SMN2NPC1

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-2024145662-A1 2-SUBSTITUTED THIAZOLE AND BENZOTHIAZOLE COMPOSITIONS AND METHODS AS DUX4 INHIBITORS ALTAY THERAPEUTICS, INC. (US) 2024-07-04 — — WO disclosed
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