SCHEMBL9833634

SCHEMBL9833634

CCCCc1c(Cl)cccc1NC(=O)C(C)(C)C

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.55
POLB P06746 1/20 0.55
PDK1 Q15118 5/20 0.45
PDK2 Q15119 5/20 0.45
PDK3 Q15120 5/20 0.45
PDK4 Q16654 5/20 0.45
CETP P11597 1/20 0.44
ALDH1A1 P00352 1/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
RAB9A P51151 1/20 0.43
MAPK14 Q16539 1/20 0.43
PLK1 P53350 1/20 0.42
MAPK1 P28482 1/20 0.41
HTT P42858 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
SCHEMBL9835326 0.91 LMNA (0.54) LMNAPOLBPDK1PDK2PDK3
SCHEMBL2432475 0.79 LMNA (0.72) LMNAPOLBCETPALDH1A1KMT2A
SCHEMBL10072798 0.78 CETP (0.54) LMNAPOLBCETPALDH1A1MEN1
SCHEMBL15621420 0.77 PDK1 (0.69) LMNAPOLBPDK1PDK2PDK3
SCHEMBL16998375 0.77 TRPV1 (0.52) LMNAPOLBPDK1PDK2PDK3
SCHEMBL3535796 0.76 PDK1 (0.68) LMNAPOLBPDK1PDK2PDK3
SCHEMBL29524443 0.76 PDK1 (0.68) LMNAPOLBPDK1PDK2PDK3
SCHEMBL3793230 0.75 PDK1 (0.55) LMNAPOLBPDK1PDK2PDK3
SCHEMBL3785961 0.74 CETP (0.58) LMNAPOLBPDK1PDK2PDK3
SCHEMBL11910714 0.74 TAAR1 (0.54) LMNAPOLBMEN1KMT2ARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0205272-B1 CINNOLINE DERIVATIVES ICI AMERICAS INC. (US) 1991-08-14 EP disclosed
US-4886800-A Substituted cinnoline derivatives as CNS depressants ICI AMERICAS INC. (US) 1989-12-12 US disclosed
EP-0205272-A2 Cinnoline derivatives ICI AMERICAS INC. (US) 1986-12-17 EP disclosed