SCHEMBL5265121

SCHEMBL5265121

CC(C)(C)Nc1c(-c2ccc(C#Cc3cccs3)s2)nc2cnccn12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 6/20 0.48
ALDH1A1 P00352 4/20 0.48
KDM4E B2RXH2 3/20 0.48
GFER P55789 2/20 0.48
SALL4 Q9UJQ4 1/20 0.47
BRD4 O60885 5/20 0.44
TAF1 P21675 1/20 0.44
TAF1L Q8IZX4 1/20 0.44
ADRA1B P35368 1/20 0.38
IDO1 P14902 2/20 0.36
LMNA P02545 2/20 0.36
CDK9 P50750 1/20 0.36
MAPK1 P28482 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC5 Q9UQL6 1/20 0.36
MEN1 O00255 1/20 0.35
POLB P06746 1/20 0.35
KMT2A Q03164 1/20 0.35
MAPT P10636 2/20 0.35
TP53 P04637 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 SCHEMBL5127823 0.99 GAA (0.48) GAAALDH1A1KDM4EGFERSALL4
SCHEMBL5118638 0.88 SALL4 (0.46) GAAALDH1A1KDM4EGFERSALL4
SCHEMBL5127483 0.87 SALL4 (0.44) GAAALDH1A1KDM4EGFERSALL4
SCHEMBL5123322 0.87 SALL4 (0.46) GAAALDH1A1KDM4EGFERSALL4
Hydrochloric Acid SCHEMBL5123040 0.87 SALL4 (0.46) GAAALDH1A1KDM4EGFERSALL4
SCHEMBL5127402 0.87 SALL4 (0.50) GAAALDH1A1KDM4EGFERSALL4
SCHEMBL5263148 0.87 SALL4 (0.48) GAAALDH1A1KDM4EGFERSALL4
SCHEMBL5120958 0.87 ADRA1B (0.53) GAAALDH1A1KDM4EGFERSALL4
SCHEMBL5264411 0.87 BRD4 (0.48) GAAALDH1A1KDM4EGFERSALL4
Hydrochloric Acid SCHEMBL5122190 0.86 SALL4 (0.47) GAAALDH1A1KDM4EGFERSALL4

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