SCHEMBL27453020

SCHEMBL27453020

CC(=O)NCCCC(=O)N(C)c1ccc(-c2nc3ccccc3s2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 7/20 0.60
▸ NPC1 O15118 6/20 0.60
▸ KDM4E B2RXH2 5/20 0.60
▸ MAPT P10636 4/20 0.60
▸ SMN1; SMN2 Q16637 4/20 0.60
▸ PAX8 Q06710 1/20 0.55
▸ APP P05067 2/20 0.53
▸ GAA P10253 4/20 0.51
▸ HPGD P15428 3/20 0.51
▸ CYP3A4 P08684 3/20 0.48
▸ TP53 P04637 4/20 0.47
▸ ALDH1A1 P00352 4/20 0.47
▸ ILK Q13418 1/20 0.46
▸ KMT2A Q03164 5/20 0.45
▸ MEN1 O00255 4/20 0.45
▸ LMNA P02545 3/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ NOD2 Q9HC29 1/20 0.45
▸ CYP1A2 P05177 1/20 0.45
▸ CYP2C9 P11712 1/20 0.45

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
SCHEMBL27453024 0.86 DYRK1A (0.48) RAB9ANPC1KDM4EMAPTSMN1; SMN2
SCHEMBL27452720 0.83 RAB9A (0.77) RAB9ANPC1KDM4EMAPTSMN1; SMN2
SCHEMBL27451638 0.81 MAPT (0.64) RAB9ANPC1KDM4EMAPTSMN1; SMN2
SCHEMBL27451529 0.80 APP (0.43) RAB9AKDM4EAPPGAAHPGD
SCHEMBL27453018 0.79 PAX8 (0.53) RAB9ANPC1KDM4EMAPTSMN1; SMN2
SCHEMBL27452355 0.78 MAPT (0.63) RAB9ANPC1KDM4EMAPTSMN1; SMN2
SCHEMBL27451960 0.76 PAX8 (0.54) RAB9ANPC1KDM4EMAPTSMN1; SMN2
SCHEMBL27451199 0.76 RAB9A (0.67) RAB9ANPC1KDM4EMAPTSMN1; SMN2
SCHEMBL27452146 0.76 NPC1 (0.55) RAB9ANPC1KDM4EMAPTSMN1; SMN2
SCHEMBL27452351 0.74 MAPT (0.77) RAB9ANPC1KDM4EMAPTSMN1; SMN2

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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