SCHEMBL27453022

SCHEMBL27453022

O=C(CCCCN1C(=O)CCC1=O)NC1CCC(c2nc3ccccc3s2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.47
▸ HPGD P15428 3/20 0.47
▸ MAPK1 P28482 2/20 0.47
▸ SMN1; SMN2 Q16637 5/20 0.46
▸ LMNA P02545 5/20 0.46
▸ POLB P06746 3/20 0.45
▸ TP53 P04637 3/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ GAA P10253 2/20 0.43
▸ DRD2 P14416 1/20 0.43
▸ DRD4 P21917 1/20 0.43
▸ GRM2 Q14416 1/20 0.43
▸ GALR3 O60755 1/20 0.43
▸ RECQL P46063 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42

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
SCHEMBL27453122 1.00 ALDH1A1 (0.47) ALDH1A1HPGDMAPK1SMN1; SMN2LMNA
SCHEMBL27453121 1.00 ALDH1A1 (0.47) ALDH1A1HPGDMAPK1SMN1; SMN2LMNA
SCHEMBL27452582 0.91 POLB (0.44) ALDH1A1HPGDMAPK1SMN1; SMN2LMNA
SCHEMBL27452869 0.91 POLB (0.44) ALDH1A1HPGDMAPK1SMN1; SMN2LMNA
SCHEMBL27452886 0.91 POLB (0.44) ALDH1A1HPGDMAPK1SMN1; SMN2LMNA
SCHEMBL27452650 0.89 POLB (0.45) ALDH1A1HPGDMAPK1SMN1; SMN2LMNA
SCHEMBL27452581 0.89 POLB (0.45) ALDH1A1HPGDMAPK1SMN1; SMN2LMNA
SCHEMBL27452584 0.82 POLB (0.42) ALDH1A1HPGDMAPK1SMN1; SMN2LMNA
SCHEMBL27452949 0.80 SMN1; SMN2 (0.47) ALDH1A1HPGDSMN1; SMN2LMNAPOLB
SCHEMBL27451894 0.79 LMNA (0.48) ALDH1A1HPGDMAPK1SMN1; SMN2LMNA

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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