SCHEMBL27452889

SCHEMBL27452889

CC(=O)NCCCC(=O)Nc1ccc(-c2nc(-c3ccccc3)cs2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 9/20 0.61
▸ SMN1; SMN2 Q16637 7/20 0.61
▸ KDM4E B2RXH2 4/20 0.61
▸ LMNA P02545 3/20 0.61
▸ MEN1 O00255 10/20 0.59
▸ KMT2A Q03164 10/20 0.59
▸ RAB9A P51151 10/20 0.59
▸ NPC1 O15118 6/20 0.59
▸ ALDH1A1 P00352 7/20 0.56
▸ HPGD P15428 4/20 0.55
▸ GFER P55789 2/20 0.55
▸ STAT1 P42224 1/20 0.55
▸ MAPK1 P28482 1/20 0.54
▸ SMO Q99835 2/20 0.53
▸ CYP1A2 P05177 1/20 0.53
▸ CYP2C19 P33261 1/20 0.53
▸ GAA P10253 3/20 0.53
▸ POLB P06746 2/20 0.53
▸ HTT P42858 1/20 0.52
▸ PKM P14618 1/20 0.51

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
SCHEMBL27452867 0.83 HDAC1 (0.69) MAPTLMNAMEN1KMT2ARAB9A
SCHEMBL38652239 0.83 HDAC1 (0.62) SMN1; SMN2MEN1KMT2ARAB9ANPC1
SCHEMBL6331116 0.81 NPC1 (0.58) MAPTSMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL27451638 0.80 MAPT (0.64) MAPTSMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL14106378 0.79 KMT2A (0.69) MAPTSMN1; SMN2KDM4ELMNAMEN1
SCHEMBL24359341 0.79 HDAC1 (0.77) MAPTRAB9ANPC1ALDH1A1MAPK1
SCHEMBL27452892 0.79 NAMPT (0.53) MAPTSMN1; SMN2KDM4ELMNA
SCHEMBL27452355 0.77 MAPT (0.63) MAPTSMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL27452350 0.77 ADORA2A (0.48) MAPTSMN1; SMN2LMNAMEN1KMT2A
SCHEMBL14106363 0.74 MEN1 (0.57) MAPTSMN1; SMN2KDM4ELMNAMEN1

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