SCHEMBL6650722

SCHEMBL6650722

CC(C)(C)Nc1c(-c2ccc(OC(=O)O)s2)nc2cnccn12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SALL4 Q9UJQ4 1/20 0.48
BRD4 O60885 6/20 0.46
TAF1 P21675 1/20 0.46
TAF1L Q8IZX4 1/20 0.46
TOP2A P11388 1/20 0.41
GAA P10253 8/20 0.40
ALDH1A1 P00352 6/20 0.40
GFER P55789 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
POLB P06746 1/20 0.40
ADRA1B P35368 1/20 0.39
KDM4E B2RXH2 6/20 0.39
HSD17B10 Q99714 3/20 0.38
HPGD P15428 2/20 0.38
CASP1 P29466 2/20 0.38
CASP7 P55210 2/20 0.38
ALOX15 P16050 1/20 0.38
LMNA P02545 3/20 0.37
MAPT P10636 3/20 0.37

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
SCHEMBL6650716 0.84 SALL4 (0.51) SALL4BRD4TAF1TAF1LTOP2A
SCHEMBL6650382 0.84 GAA (0.58) TOP2AGAAALDH1A1GFERPOLB
SCHEMBL5168092 0.82 ATM (0.51) SALL4BRD4GAAALDH1A1KDM4E
SCHEMBL6649470 0.80 BRD4 (0.45) BRD4TOP2AGAAALDH1A1GFER
SCHEMBL5115847 0.80 SALL4 (0.53) SALL4BRD4TAF1TAF1LGAA
SCHEMBL5164992 0.79 GAA (0.33) SALL4BRD4GAAALDH1A1GFER
SCHEMBL5130128 0.77 SALL4 (0.49) SALL4BRD4TAF1TAF1LGAA
SCHEMBL5164945 0.76 GAA (0.35) BRD4GAAALDH1A1GFERMEN1
SCHEMBL5127402 0.75 SALL4 (0.50) SALL4BRD4TAF1TAF1LTOP2A
SCHEMBL5128134 0.74 BRD4 (0.48) SALL4BRD4TAF1TAF1LGAA

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
EP-1326613-B1 USE OF SUBSTITUTED IMIDAZO 1,2-A]PYRIDINE-, IMIDAZO [1,2-A]PYRIMIDINE AND IMIDAZO [1,2-A]PYRAZINE-3-YL-AMINE DERIVATIVES FOR PRODUCING NOS-INHIBITING MEDICAMENTS GRUENENTHAL GMBH (DE) 2004-06-02 EP disclosed