SCHEMBL5265076

SCHEMBL5265076

CNc1cccc(C#Cc2ccc(-c3nc4cnccn4c3NC(C)(C)C)s2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SALL4 Q9UJQ4 1/20 0.43
BRD4 O60885 5/20 0.41
TAF1 P21675 1/20 0.41
TAF1L Q8IZX4 1/20 0.41
GAA P10253 8/20 0.38
ALDH1A1 P00352 4/20 0.38
KDM4E B2RXH2 4/20 0.38
GFER P55789 2/20 0.38
ADRA1B P35368 1/20 0.36
MAPT P10636 4/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
HDAC4 P56524 1/20 0.36
HDAC5 Q9UQL6 1/20 0.36
POLB P06746 1/20 0.36
HSD17B10 Q99714 2/20 0.36
LMNA P02545 2/20 0.36
MAPK1 P28482 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HPGD P15428 1/20 0.36

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 SCHEMBL5115094 0.99 SALL4 (0.42) SALL4BRD4TAF1TAF1LGAA
SCHEMBL5127262 0.89 SALL4 (0.46) SALL4BRD4TAF1TAF1LGAA
SCHEMBL5263475 0.89 SALL4 (0.44) SALL4BRD4TAF1TAF1LGAA
SCHEMBL5265123 0.89 TRPA1 (0.44) SALL4BRD4TAF1TAF1LGAA
SCHEMBL5266395 0.89 SALL4 (0.44) SALL4BRD4TAF1TAF1LGAA
SCHEMBL5130054 0.89 SALL4 (0.48) SALL4BRD4TAF1TAF1LGAA
SCHEMBL5127402 0.88 SALL4 (0.50) SALL4BRD4TAF1TAF1LGAA
Hydrochloric Acid SCHEMBL5118940 0.88 TRPA1 (0.43) SALL4BRD4TAF1TAF1LGAA
SCHEMBL5263467 0.88 SALL4 (0.45) SALL4BRD4TAF1TAF1LGAA
Hydrochloric Acid SCHEMBL5121341 0.88 SALL4 (0.43) 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 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