SCHEMBL5264897

SCHEMBL5264897

CC(C)(C)Nc1c(-c2ccc(C#Cc3ccc(C#N)cc3)s2)nc2cnccn12

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SALL4 Q9UJQ4 2/20 0.44
BRD4 O60885 5/20 0.43
TAF1 P21675 1/20 0.43
TAF1L Q8IZX4 1/20 0.43
TRIM24 O15164 2/20 0.42
TRIM33 Q9UPN9 2/20 0.40
GAA P10253 3/20 0.37
ALDH1A1 P00352 2/20 0.37
GFER P55789 2/20 0.37
KDM4E B2RXH2 1/20 0.37
TRPA1 O75762 3/20 0.36
MEN1 O00255 1/20 0.35
POLB P06746 1/20 0.35
KMT2A Q03164 1/20 0.35
ADRA1B P35368 1/20 0.35
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35

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
Hydrochloric Acid SCHEMBL5123787 0.99 SALL4 (0.43) SALL4BRD4TAF1TAF1LTRIM24
SCHEMBL5267844 0.92 SALL4 (0.42) SALL4BRD4TAF1TAF1LTRIM24
SCHEMBL5129108 0.91 BRD4 (0.46) SALL4BRD4TAF1TAF1LTRIM24
SCHEMBL5118638 0.91 SALL4 (0.46) SALL4BRD4TAF1TAF1LTRIM24
SCHEMBL5265123 0.91 TRPA1 (0.44) SALL4BRD4TAF1TAF1LTRIM24
Hydrochloric Acid SCHEMBL5123407 0.91 SALL4 (0.42) SALL4BRD4TAF1TAF1LTRIM24
SCHEMBL5265068 0.90 SALL4 (0.44) SALL4BRD4TAF1TAF1LGAA
SCHEMBL5127392 0.90 SALL4 (0.48) SALL4BRD4TAF1TAF1LTRIM24
SCHEMBL5113792 0.90 SALL4 (0.44) SALL4BRD4TAF1TAF1LTRIM24
Hydrochloric Acid SCHEMBL5123040 0.90 SALL4 (0.46) SALL4BRD4TAF1TAF1LTRIM24

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1791840-A1 SUBSTITUTED BICYCLIC IMIDAZO-3-YLAMINE COMPOUNDS Grünenthal GmbH (DE) 2007-06-06 EP claimed
WO-2006029980-A1 SUBSTITUTED BICYCLIC IMIDAZO-3-YLAMINE COMPOUNDS Grünenthal GmbH (DE) 2006-03-23 WO claimed
EP-1791840-A1 SUBSTITUTED BICYCLIC IMIDAZO-3-YLAMINE COMPOUNDS Grünenthal GmbH (DE) 2007-06-06 EP disclosed
WO-2006029980-A1 SUBSTITUTED BICYCLIC IMIDAZO-3-YLAMINE COMPOUNDS Grünenthal GmbH (DE) 2006-03-23 WO disclosed