SCHEMBL27451353

SCHEMBL27451353

Cc1ccc2nc(-c3ccc(NC(=O)CCN4C(=O)CCC4O)cc3)sc2c1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 11/20 0.64
▸ RAB9A P51151 11/20 0.64
▸ SMN1; SMN2 Q16637 7/20 0.64
▸ HPGD P15428 3/20 0.64
▸ NFKB1 P19838 2/20 0.64
▸ NFKB2 Q00653 2/20 0.64
▸ RELA Q04206 2/20 0.64
▸ KDM4E B2RXH2 7/20 0.59
▸ ALDH1A1 P00352 4/20 0.59
▸ TP53 P04637 3/20 0.56
▸ MAPT P10636 7/20 0.56
▸ KCNK2 O95069 1/20 0.54
▸ KCNK4 Q9NYG8 1/20 0.54
▸ MEN1 O00255 1/20 0.53
▸ KMT2A Q03164 1/20 0.53
▸ RORC P51449 1/20 0.52

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
SCHEMBL27451347 0.87 RAB9A (0.64) NPC1RAB9ASMN1; SMN2HPGDNFKB1
SCHEMBL27451127 0.85 NPC1 (0.76) NPC1RAB9ASMN1; SMN2HPGDNFKB1
SCHEMBL12692412 0.78 NPC1 (1.00) NPC1RAB9ASMN1; SMN2HPGDNFKB1
SCHEMBL10599193 0.77 NPC1 (0.80) NPC1RAB9ASMN1; SMN2HPGDNFKB1
SCHEMBL27451200 0.77 NPC1 (0.68) NPC1RAB9ASMN1; SMN2HPGDNFKB1
SCHEMBL19287154 0.76 SMN1; SMN2 (0.69) NPC1RAB9ASMN1; SMN2HPGDNFKB1
SCHEMBL27451198 0.76 SMN1; SMN2 (0.69) NPC1RAB9ASMN1; SMN2HPGDNFKB1
SCHEMBL27451424 0.76 MAPT (0.49) NPC1RAB9ASMN1; SMN2HPGDNFKB1
SCHEMBL22057362 0.76 NPC1 (0.78) NPC1RAB9ASMN1; SMN2HPGDNFKB1
SCHEMBL12963200 0.76 MAPT (0.74) NPC1RAB9ASMN1; SMN2HPGDNFKB1

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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