SCHEMBL9709713

SCHEMBL9709713

Cc1cc(NC(=O)OC(C)(C)C)c2ccc(C)c(C)c2n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.52
CASP2 P42575 1/20 0.49
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
HTT P42858 1/20 0.44
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA9 Q16790 1/20 0.42
KDM4E B2RXH2 1/20 0.39
RAD52 P43351 1/20 0.38
BRD9 Q9H8M2 1/20 0.38
LCK P06239 4/20 0.37
TP53 P04637 2/20 0.37
ALDH1A1 P00352 2/20 0.37
NPC1 O15118 1/20 0.37
GAA P10253 1/20 0.37
TSHR P16473 2/20 0.37
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL9709748 0.85 KMT2A (0.56) MEN1KMT2AHTTKDM4ERAD52
SCHEMBL9709726 0.79 CD38 (0.50) LMNAMEN1KMT2AHTTKDM4E
SCHEMBL3924829 0.76 HTT (0.75) LMNAMEN1KMT2AHTTKDM4E
SCHEMBL13587071 0.74 CA12 (0.42) LMNAMEN1KMT2ACA12CA1
SCHEMBL12931843 0.74 SMN1; SMN2 (0.45) MEN1KMT2AHTTBRD9LCK
SCHEMBL10329947 0.73 SMN1; SMN2 (0.41) MEN1KMT2AHTTBRD9LCK
SCHEMBL20838504 0.72 KDM4E (0.42) KMT2AHTTCA12CA1CA9
SCHEMBL29468050 0.72 LCK (0.43) MEN1KMT2ACA12CA1CA9
SCHEMBL31093877 0.71 LCK (0.47) CA12CA1CA9BRD9LCK
SCHEMBL4568018 0.71 NLRP3 (0.55) LMNATP53ALDH1A1GAATSHR

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