SCHEMBL6033017

SCHEMBL6033017

CCOc1ccc(CCNC(=O)c2ccc(-c3ccnc(NS(C)(=O)=O)n3)s2)cc1

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AKT3 Q9Y243 17/20 0.62
TAS1R3 Q7RTX0 1/20 0.46
TAS1R1 Q7RTX1 1/20 0.46
TAS1R2 Q8TE23 1/20 0.46
MAPT P10636 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
POLB P06746 1/20 0.42

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
SCHEMBL5000393 0.89 AKT3 (0.77) AKT3TAS1R3TAS1R1TAS1R2
SCHEMBL5006215 0.88 AKT3 (0.79) AKT3NPC1RAB9ASMN1; SMN2
SCHEMBL5000573 0.80 AKT3 (0.78) AKT3
SCHEMBL5000295 0.79 AKT3 (0.83) AKT3
SCHEMBL5005814 0.78 AKT3 (0.83) AKT3
SCHEMBL4927968 0.78 MAPT (0.54) AKT3TAS1R3TAS1R1TAS1R2MAPT
SCHEMBL5000614 0.77 AKT3 (0.83) AKT3
SCHEMBL5000382 0.77 AKT3 (1.00) AKT3NPC1POLB
SCHEMBL5000539 0.76 AKT3 (0.81) AKT3NPC1RAB9ASMN1; SMN2
SCHEMBL5000448 0.76 AKT3 (1.00) AKT3NPC1RAB9ASMN1; SMN2

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-1732919-A1 SUBSTITUTED THIOPHENE DERIVATIVES AS ANTI-CANCER AGENTS CHIRON CORPORATION (US) 2006-12-20 EP claimed
WO-2005095386-A1 SUBSTITUTED THIOPHENE DERIVATIVES AS ANTI-CANCER AGENTS CHIRON CORPORATION (US) 2005-10-13 WO claimed