SCHEMBL27452946

SCHEMBL27452946

CC(=O)NCCCC(=O)N[C@H]1CCC[C@H]1c1nc2ccccc2s1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 6/20 0.42
▸ LMNA P02545 2/20 0.42
▸ KMT2A Q03164 5/20 0.41
▸ POLB P06746 2/20 0.41
▸ GAA P10253 2/20 0.40
▸ MAOB P27338 1/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ MAPT P10636 3/20 0.40
▸ KDM4E B2RXH2 3/20 0.40
▸ NPC1 O15118 3/20 0.40
▸ RAB9A P51151 3/20 0.40
▸ GALR3 O60755 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ CHRM4 P08173 1/20 0.40
▸ HCRTR1 O43613 3/20 0.39
▸ HCRTR2 O43614 2/20 0.39
▸ RECQL P46063 2/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39

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
SCHEMBL27452947 1.00 SMN1; SMN2 (0.42) SMN1; SMN2LMNAKMT2APOLBGAA
SCHEMBL27451894 0.84 LMNA (0.48) SMN1; SMN2LMNAKMT2APOLBGAA
SCHEMBL27452787 0.82 SMN1; SMN2 (0.45) SMN1; SMN2LMNAKMT2APOLBGAA
SCHEMBL27452786 0.82 SMN1; SMN2 (0.45) SMN1; SMN2LMNAKMT2APOLBGAA
SCHEMBL27452949 0.81 SMN1; SMN2 (0.47) SMN1; SMN2LMNAKMT2APOLBGAA
SCHEMBL27452584 0.81 POLB (0.42) SMN1; SMN2LMNAKMT2APOLBGAA
SCHEMBL27452788 0.80 SMN1; SMN2 (0.44) SMN1; SMN2LMNAKMT2APOLBGAA
SCHEMBL27452834 0.80 SMN1; SMN2 (0.44) SMN1; SMN2LMNAKMT2APOLBGAA
SCHEMBL27452836 0.79 ALDH1A1 (0.43) SMN1; SMN2LMNAKMT2APOLBGAA
SCHEMBL27452864 0.77 ALDH1A1 (0.43) SMN1; SMN2LMNAKMT2APOLBGAA

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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