SCHEMBL9709748

SCHEMBL9709748

Cc1cc(NC(=O)OC(C)(C)C)c2cccc(C)c2n1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.56
MEN1 O00255 6/20 0.56
KDM4E B2RXH2 2/20 0.56
TP53 P04637 1/20 0.56
RAD52 P43351 3/20 0.54
HTT P42858 1/20 0.50
POLB P06746 2/20 0.46
CD38 P28907 2/20 0.46
BLM P54132 1/20 0.46
CYP3A4 P08684 1/20 0.46
KCNH2 Q12809 1/20 0.46
LCK P06239 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL9709726 0.86 CD38 (0.50) KMT2AMEN1KDM4ETP53RAD52
SCHEMBL9709713 0.85 LMNA (0.52) KMT2AMEN1KDM4ETP53RAD52
SCHEMBL3924829 0.82 HTT (0.75) KMT2AMEN1KDM4EHTTSMN1; SMN2
SCHEMBL7748081 0.75 MAPT (0.57) KMT2AMEN1TP53POLBSMN1; SMN2
SCHEMBL30471577 0.75 MAPT (0.57) KMT2AMEN1TP53POLBSMN1; SMN2
SCHEMBL10061806 0.74 KMT2A (0.77) KMT2AMEN1KDM4ETP53RAD52
SCHEMBL30116113 0.74 AAK1 (0.43) LCKSMN1; SMN2
SCHEMBL20671010 0.74 AAK1 (0.43) LCKSMN1; SMN2
SCHEMBL12931843 0.74 SMN1; SMN2 (0.45) KMT2AMEN1HTTPOLBLCK
SCHEMBL9709993 0.73 KMT2A (0.49) KMT2AMEN1KDM4ETP53HTT

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
WO-1992022533-A1 4-AMINOQUINOLINES AND PHARMACEUTICAL COMPOSITIONS THEREOF THE UPJOHN COMPANY (US) 1992-12-23 WO disclosed