SCHEMBL31050189

SCHEMBL31050189

O=C(CCN1C(=O)CCC1=O)Nc1ccc(-c2nc3ccccc3s2)nc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 7/20 0.59
▸ RAB9A P51151 7/20 0.59
▸ MAPT P10636 6/20 0.59
▸ MEN1 O00255 3/20 0.59
▸ KMT2A Q03164 3/20 0.59
▸ L3MBTL1 Q9Y468 1/20 0.59
▸ PSMD14 O00487 1/20 0.54
▸ SMN1; SMN2 Q16637 5/20 0.54
▸ KDM4E B2RXH2 3/20 0.54
▸ HPGD P15428 3/20 0.54
▸ ALDH1A1 P00352 2/20 0.54
▸ TP53 P04637 2/20 0.54
▸ ADRB2 P07550 1/20 0.54
▸ TSHR P16473 1/20 0.54
▸ HSD17B10 Q99714 1/20 0.54
▸ ADORA2A P29274 1/20 0.49
▸ NFKB1 P19838 2/20 0.47
▸ NFKB2 Q00653 2/20 0.47
▸ RELA Q04206 2/20 0.47
▸ MGLL Q99685 9/20 0.47

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
SCHEMBL31050188 1.00 NPC1 (0.59) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL27451505 1.00 NPC1 (0.59) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL27451116 0.87 RAB9A (0.77) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL27451424 0.85 MAPT (0.49) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL27451640 0.81 NPC1 (0.58) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL31050186 0.81 RAB9A (0.48) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL27451123 0.81 RAB9A (0.68) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL27452349 0.79 NPC1 (0.55) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL27451276 0.78 RAB9A (0.54) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL27451289 0.77 MAPT (0.53) NPC1RAB9AMAPTMEN1KMT2A

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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