SCHEMBL10694401

SCHEMBL10694401

COc1cccc2nc3sc(C)cn3c(=O)c12

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ELANE P08246 2/20 0.47
MAPT P10636 4/20 0.44
POLB P06746 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TP53 P04637 2/20 0.42
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
HRH3 Q9Y5N1 3/20 0.41
KCNH2 Q12809 2/20 0.41
DCPS Q96C86 1/20 0.40
ADRA1A P35348 1/20 0.40
THRB P10828 1/20 0.39
PKM P14618 1/20 0.38

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
SCHEMBL9535344 0.86 ELANE (0.43) ELANEMAPTKDM4EALDH1A1HPGD
SCHEMBL9770718 0.83 KDM4E (0.45) ELANEMAPTPOLBSMN1; SMN2TP53
SCHEMBL9770658 0.81 KDM4E (0.46) MAPTPOLBSMN1; SMN2TP53KDM4E
SCHEMBL9770716 0.81 PARP1 (0.44) ELANEMAPTPOLBSMN1; SMN2TP53
SCHEMBL9534033 0.77 PKM (0.50) ELANEMAPTSMN1; SMN2KDM4EALDH1A1
SCHEMBL10694920 0.76 ELANE (0.47) ELANEMAPTPOLBSMN1; SMN2KDM4E
SCHEMBL21653862 0.75 ELANE (0.48) ELANEMAPTPOLBSMN1; SMN2KDM4E
SCHEMBL10693610 0.75 KDM4E (0.54) MAPTPOLBSMN1; SMN2TP53KDM4E
SCHEMBL9534712 0.74 KDM4E (0.59) ELANEMAPTSMN1; SMN2TP53KDM4E
SCHEMBL10696348 0.73 PDE10A (0.43) ELANEMAPTPOLBHRH3KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0263523-A2 Process for the preparation of thiazolo [2,3-b] quinazolones BASF Aktiengesellschaft (DE) 1988-04-13 EP disclosed