SCHEMBL20791836

SCHEMBL20791836

CC(C)(C)c1csc(NC(=O)Cc2cn(Cc3ccccc3)c3ccc(C#N)cc23)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.50
▸ MEN1 O00255 3/20 0.50
▸ LMNA P02545 4/20 0.46
▸ HPGD P15428 3/20 0.46
▸ HTT P42858 2/20 0.46
▸ TSHR P16473 1/20 0.46
▸ PLA2G2A P14555 3/20 0.46
▸ POLB P06746 3/20 0.46
▸ MAPT P10636 2/20 0.46
▸ RECQL P46063 1/20 0.46
▸ ALDH1A1 P00352 5/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ HSD17B10 Q99714 2/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ NPC1 O15118 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2D6 P10635 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
SCHEMBL20769714 0.86 KMT2A (0.51) KMT2AMEN1LMNAHPGDHTT
SCHEMBL20789125 0.83 KMT2A (0.44) KMT2AMEN1LMNAHPGDHTT
SCHEMBL20769721 0.79 ALDH1A1 (0.52) KMT2AMEN1LMNAHPGDHTT
SCHEMBL20769665 0.77 KMT2A (0.44) KMT2AMEN1LMNAHPGDHTT
SCHEMBL77834 0.74 KMT2A (0.77) KMT2AMEN1LMNAHPGDHTT
SCHEMBL24435435 0.69 MEN1 (0.57) KMT2AMEN1LMNAHPGDHTT
SCHEMBL10078878 0.68 KMT2A (1.00) KMT2AMEN1LMNAHPGDHTT
SCHEMBL20791843 0.68 KMT2A (0.53) KMT2AMEN1LMNAHPGDHTT
SCHEMBL11357696 0.67 HRH1 (0.49) KMT2AMEN1LMNAHTTTSHR
SCHEMBL20787988 0.67 MEN1 (0.54) KMT2AMEN1LMNAHTTTSHR

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