SCHEMBL9709726

SCHEMBL9709726

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CD38 P28907 6/20 0.50
CYP3A4 P08684 2/20 0.50
KCNH2 Q12809 1/20 0.48
LMNA P02545 1/20 0.47
POLB P06746 1/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
HTT P42858 1/20 0.47
ALDH1A1 P00352 1/20 0.44
TSHR P16473 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
KDM4E B2RXH2 2/20 0.42
AURKA O14965 1/20 0.41
GSK3A P49840 1/20 0.41
GSK3B P49841 1/20 0.41
PRKX P51817 1/20 0.41
PRKG1 Q13976 1/20 0.41
MAPKAPK5 Q8IW41 1/20 0.41
SRPK1 Q96SB4 1/20 0.41
RAD52 P43351 1/20 0.41

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 0.86 KMT2A (0.56) CD38CYP3A4KCNH2POLBMEN1
SCHEMBL9709713 0.79 LMNA (0.52) LMNAMEN1KMT2AHTTALDH1A1
SCHEMBL3924829 0.79 HTT (0.75) LMNAMEN1KMT2AHTTALDH1A1
SCHEMBL31690902 0.76 LMNA (0.42) LMNAPOLBMEN1KMT2AALDH1A1
SCHEMBL3424865 0.75 POLB (0.76) CYP3A4LMNAPOLBMEN1KMT2A
SCHEMBL440957 0.74 LMNA (0.59) CYP3A4LMNAPOLBMEN1KMT2A
SCHEMBL20320534 0.73 LMNA (0.45) LMNAPOLBALDH1A1TSHRRXFP1
SCHEMBL30681299 0.73 POLB (0.58) CYP3A4LMNAPOLBMEN1KMT2A
SCHEMBL5802951 0.73 LMNA (0.58) CYP3A4LMNAPOLBMEN1KMT2A
SCHEMBL18216600 0.72 SLC40A1 (0.51) LMNAPOLBMEN1KMT2AHTT

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