SCHEMBL27452886

SCHEMBL27452886

O=C(CCCN1C(=O)CCC1=O)N[C@H]1CC[C@H](c2nc3ccccc3s2)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.44
▸ SMN1; SMN2 Q16637 5/20 0.43
▸ LMNA P02545 4/20 0.43
▸ RECQL P46063 2/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ ALDH1A1 P00352 6/20 0.41
▸ HPGD P15428 3/20 0.41
▸ TP53 P04637 3/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ ADRB2 P07550 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ MAPT P10636 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ DRD2 P14416 2/20 0.41
▸ GAA P10253 2/20 0.41
▸ DRD4 P21917 1/20 0.41
▸ GRM2 Q14416 1/20 0.41

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
SCHEMBL27452582 1.00 POLB (0.44) POLBSMN1; SMN2LMNARECQLL3MBTL1
SCHEMBL27452869 1.00 POLB (0.44) POLBSMN1; SMN2LMNARECQLL3MBTL1
SCHEMBL27452650 0.94 POLB (0.45) POLBSMN1; SMN2LMNARECQLL3MBTL1
SCHEMBL27452581 0.94 POLB (0.45) POLBSMN1; SMN2LMNARECQLL3MBTL1
SCHEMBL27453121 0.91 ALDH1A1 (0.47) POLBSMN1; SMN2LMNARECQLL3MBTL1
SCHEMBL27453022 0.91 ALDH1A1 (0.47) POLBSMN1; SMN2LMNARECQLL3MBTL1
SCHEMBL27453122 0.91 ALDH1A1 (0.47) POLBSMN1; SMN2LMNARECQLL3MBTL1
SCHEMBL27453209 0.83 POLB (0.47) POLBSMN1; SMN2LMNARECQLL3MBTL1
SCHEMBL27452788 0.81 SMN1; SMN2 (0.44) POLBSMN1; SMN2LMNARECQLL3MBTL1
SCHEMBL27452834 0.81 SMN1; SMN2 (0.44) POLBSMN1; SMN2LMNARECQLL3MBTL1

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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