SCHEMBL27452835

SCHEMBL27452835

O=C(CCCN1CCCC1=O)Nc1ccc(-c2nc3cc(F)ccc3s2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 8/20 0.50
▸ NPC1 O15118 7/20 0.50
▸ MAPT P10636 3/20 0.50
▸ SENP7 Q9BQF6 2/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ KDM4E B2RXH2 1/20 0.50
▸ CASP3 P42574 1/20 0.50
▸ SENP8 Q96LD8 1/20 0.50
▸ SENP6 Q9GZR1 1/20 0.50
▸ PSMD14 O00487 1/20 0.49
▸ MGLL Q99685 4/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ DYRK1A Q13627 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ NFKB1 P19838 1/20 0.44
▸ NFKB2 Q00653 1/20 0.44
▸ RELA Q04206 1/20 0.44
▸ POLB P06746 1/20 0.44

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
SCHEMBL27451351 0.81 RAB9A (0.68) RAB9ANPC1MAPTSMN1; SMN2KDM4E
SCHEMBL27452781 0.76 RAB9A (0.55) RAB9ANPC1MAPTSMN1; SMN2KDM4E
SCHEMBL27452084 0.76 SENP7 (0.59) RAB9ANPC1MAPTSENP7SMN1; SMN2
SCHEMBL27452286 0.75 NAMPT (0.55) RAB9ANPC1MAPTSENP7SMN1; SMN2
SCHEMBL27453205 0.75 MGLL (0.51) RAB9ANPC1MAPTSENP7SMN1; SMN2
SCHEMBL27451123 0.75 RAB9A (0.68) RAB9ANPC1MAPTSMN1; SMN2KDM4E
SCHEMBL27452651 0.74 SENP7 (0.50) RAB9ANPC1MAPTSENP7SMN1; SMN2
SCHEMBL27452783 0.73 MGLL (0.49) RAB9ANPC1MAPTSMN1; SMN2KDM4E
SCHEMBL27452289 0.73 NAMPT (0.56) RAB9ANPC1MAPTSENP7SMN1; SMN2
SCHEMBL3586298 0.73 APP (0.56) RAB9ANPC1MAPTSENP7SMN1; SMN2

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
Send feedback