SCHEMBL27452949

SCHEMBL27452949

CC(=O)NCCCCC(=O)NC1CCC(c2nc3ccccc3s2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.47
▸ LMNA P02545 4/20 0.47
▸ KMT2A Q03164 4/20 0.46
▸ GAA P10253 2/20 0.45
▸ HPGD P15428 2/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ GALR3 O60755 1/20 0.44
▸ POLB P06746 2/20 0.44
▸ MEN1 O00255 2/20 0.43
▸ MAPT P10636 2/20 0.43
▸ RECQL P46063 2/20 0.43
▸ MAOB P27338 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ UBE2M P61081 4/20 0.43
▸ DCUN1D1 Q96GG9 4/20 0.43
▸ TP53 P04637 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43

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
SCHEMBL27451894 0.97 LMNA (0.48) SMN1; SMN2LMNAKMT2AGAAHPGD
SCHEMBL27452834 0.91 SMN1; SMN2 (0.44) SMN1; SMN2LMNAKMT2AGAAHPGD
SCHEMBL27452788 0.91 SMN1; SMN2 (0.44) SMN1; SMN2LMNAKMT2AGAAHPGD
SCHEMBL27452786 0.89 SMN1; SMN2 (0.45) SMN1; SMN2LMNAKMT2AGAAHPGD
SCHEMBL27452787 0.89 SMN1; SMN2 (0.45) SMN1; SMN2LMNAKMT2AGAAHPGD
SCHEMBL27452946 0.81 SMN1; SMN2 (0.42) SMN1; SMN2LMNAKMT2AGAAHPGD
SCHEMBL27452947 0.81 SMN1; SMN2 (0.42) SMN1; SMN2LMNAKMT2AGAAHPGD
SCHEMBL27453403 0.81 POLB (0.48) SMN1; SMN2LMNAHPGDALDH1A1POLB
SCHEMBL27453400 0.81 POLB (0.48) SMN1; SMN2LMNAHPGDALDH1A1POLB
SCHEMBL27453122 0.80 ALDH1A1 (0.47) SMN1; SMN2LMNAKMT2AGAAHPGD

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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