SCHEMBL27314192

SCHEMBL27314192

CC(=O)Nc1ccc(C)c(-c2csc(N)n2)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CG P48736 1/20 0.51
▸ ALDH1A1 P00352 5/20 0.44
▸ MAPT P10636 3/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ HSD17B10 Q99714 2/20 0.44
▸ KDM4E B2RXH2 2/20 0.44
▸ ADORA3 P0DMS8 7/20 0.42
▸ ADORA2A P29274 3/20 0.42
▸ NPC1 O15118 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ CLK1 P49759 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ ABL1 P00519 1/20 0.40
▸ ADORA1 P30542 1/20 0.40
▸ GFER P55789 1/20 0.40
▸ MAPK14 Q16539 1/20 0.39
▸ KDM4B O94953 2/20 0.39
▸ KDM5C P41229 2/20 0.39

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
SCHEMBL9529340 0.82 ABL1 (0.46) ALDH1A1MAPTMEN1KMT2AHSD17B10
SCHEMBL9530780 0.80 ATP4A (0.39) MAPTADORA3ADORA2ANPC1GFER
SCHEMBL2642609 0.75 PIK3CG (0.53) PIK3CGALDH1A1MAPTMEN1KMT2A
SCHEMBL27400125 0.74 TP53 (0.54) PIK3CGALDH1A1MAPTMEN1KMT2A
SCHEMBL27400126 0.72 PIK3CG (0.51) PIK3CGALDH1A1MAPTMEN1KMT2A
SCHEMBL2380472 0.71 PIK3CG (0.53) PIK3CGALDH1A1MAPTMEN1KMT2A
SCHEMBL126387 0.71 KMT2A (0.66) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL10868877 0.70 PIK3CG (0.63) PIK3CGALDH1A1MAPTMEN1KMT2A
SCHEMBL9753194 0.70 SORT1 (0.53) ALDH1A1KDM4EADORA3ADORA2ANPC1
SCHEMBL10519259 0.70 ALDH1A1 (0.60) PIK3CGALDH1A1MAPTMEN1KMT2A

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
CN-1050191-A New thiazole derivative, they the preparation method and contain their pharmaceutical composition FUJISAWA PHARMACEUTICAL CO (JP) 1991-03-27 — — CN disclosed
Send feedback