SCHEMBL20769721

SCHEMBL20769721

CC(C)(C)c1csc(NC(=O)Cc2csc3ccc(C#N)cc23)n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.52
▸ HPGD P15428 5/20 0.52
▸ SMN1; SMN2 Q16637 3/20 0.52
▸ KMT2A Q03164 7/20 0.51
▸ MEN1 O00255 5/20 0.51
▸ LMNA P02545 5/20 0.51
▸ POLB P06746 3/20 0.51
▸ MAPT P10636 2/20 0.51
▸ RECQL P46063 1/20 0.51
▸ TSHR P16473 2/20 0.42
▸ HTT P42858 2/20 0.42
▸ NPC1 O15118 5/20 0.42
▸ RAB9A P51151 5/20 0.42
▸ MAPK1 P28482 2/20 0.42
▸ TAS1R3 Q7RTX0 1/20 0.42
▸ TAS1R1 Q7RTX1 1/20 0.42
▸ TAS1R2 Q8TE23 1/20 0.42
▸ HSD17B10 Q99714 3/20 0.41
▸ ALOX15 P16050 2/20 0.41
▸ RORC P51449 1/20 0.41

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
SCHEMBL20769695 0.85 KMT2A (0.54) ALDH1A1HPGDSMN1; SMN2KMT2AMEN1
SCHEMBL20791843 0.82 KMT2A (0.53) ALDH1A1HPGDSMN1; SMN2KMT2AMEN1
SCHEMBL20791836 0.79 KMT2A (0.50) ALDH1A1HPGDSMN1; SMN2KMT2AMEN1
SCHEMBL20769713 0.75 NPC1 (0.57) ALDH1A1HPGDSMN1; SMN2KMT2AMEN1
SCHEMBL20769703 0.74 KEAP1 (0.48) ALDH1A1HPGDSMN1; SMN2KMT2AMEN1
SCHEMBL20769699 0.74 KEAP1 (0.48) ALDH1A1HPGDSMN1; SMN2KMT2AMEN1
SCHEMBL20788554 0.74 KEAP1 (0.47) ALDH1A1HPGDSMN1; SMN2KMT2AMEN1
SCHEMBL20769729 0.73 KEAP1 (0.47) ALDH1A1HPGDSMN1; SMN2KMT2AMEN1
SCHEMBL7437596 0.73 KEAP1 (0.62) MAPT
SCHEMBL20769688 0.72 KEAP1 (0.46) ALDH1A1HPGDSMN1; SMN2KMT2AMEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019046668-A1 AMIDE SUBSTITUTED THIAZOLES AS PROTEIN SECRETION INHIBITORS KEZAR LIFE SCIENCES (US) 2019-03-07 — — WO disclosed
WO-2019046668-A1 AMIDE SUBSTITUTED THIAZOLES AS PROTEIN SECRETION INHIBITORS KEZAR LIFE SCIENCES (US) 2019-03-07 — — WO disclosed
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