SCHEMBL5263148

SCHEMBL5263148

CC(C)(C)Nc1c(-c2ccc(C#Cc3ncccn3)s2)nc2cnccn12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SALL4 Q9UJQ4 1/20 0.48
BRD4 O60885 5/20 0.45
TAF1 P21675 1/20 0.45
TAF1L Q8IZX4 1/20 0.45
GAA P10253 8/20 0.40
ALDH1A1 P00352 5/20 0.40
KDM4E B2RXH2 4/20 0.40
GFER P55789 3/20 0.40
ADRA1B P35368 1/20 0.38
LMNA P02545 3/20 0.36
MAPK1 P28482 2/20 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
MAPT P10636 4/20 0.36
TP53 P04637 1/20 0.36
HPGD P15428 2/20 0.35
ALOX15 P16050 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 SCHEMBL5122190 0.99 SALL4 (0.47) SALL4BRD4TAF1TAF1LGAA
SCHEMBL5123348 0.89 SALL4 (0.48) SALL4BRD4TAF1TAF1LGAA
Hydrochloric Acid SCHEMBL5124088 0.89 SALL4 (0.47) SALL4BRD4TAF1TAF1LGAA
SCHEMBL5127402 0.88 SALL4 (0.50) SALL4BRD4TAF1TAF1LGAA
SCHEMBL5263543 0.88 ADRA1B (0.53) SALL4BRD4GAAALDH1A1KDM4E
SCHEMBL5264411 0.88 BRD4 (0.48) SALL4BRD4TAF1TAF1LGAA
SCHEMBL5116478 0.88 SALL4 (0.44) SALL4BRD4TAF1TAF1LGAA
SCHEMBL5128565 0.87 SALL4 (0.45) SALL4BRD4TAF1TAF1LGAA
SCHEMBL5265121 0.87 GAA (0.48) SALL4BRD4TAF1TAF1LGAA
SCHEMBL5120407 0.87 SALL4 (0.47) 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 2 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 disclosed
WO-2006029980-A1 SUBSTITUTED BICYCLIC IMIDAZO-3-YLAMINE COMPOUNDS Grünenthal GmbH (DE) 2006-03-23 WO disclosed