SCHEMBL27366669

SCHEMBL27366669

CCOC(=O)C1CCc2nc(Cl)ccc2C1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 1/20 0.50
KMT2A Q03164 3/20 0.45
MAPT P10636 2/20 0.42
LIMK1 P53667 1/20 0.39
MEN1 O00255 1/20 0.39
CYP2C19 P33261 1/20 0.39
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 3/20 0.39
TSHR P16473 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
RAB9A P51151 1/20 0.38
GAA P10253 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
SCHEMBL27366654 0.86 PDK1 (0.51) PDK1KMT2AMAPTLIMK1MEN1
SCHEMBL1107076 0.81 PDK1 (0.47) PDK1KMT2AMAPTLIMK1MEN1
SCHEMBL537662 0.81 PDK1 (0.47) PDK1KMT2AMAPTLIMK1MEN1
SCHEMBL27366691 0.81 PDK1 (0.46) PDK1KMT2AMAPTLIMK1ALDH1A1
SCHEMBL27366718 0.79 PDK1 (0.45) PDK1KMT2AMAPTLIMK1MEN1
SCHEMBL1208500 0.79 PDK1 (0.45) PDK1KMT2AMAPTLIMK1MEN1
SCHEMBL2878655 0.78 DRD2 (0.49) PDK1KMT2AMAPTLIMK1CYP2C19
SCHEMBL2885395 0.77 ALDH1A1 (0.49) KMT2AMAPTMEN1CYP2C19ALDH1A1
SCHEMBL2884284 0.76 KMT2A (0.41) KMT2AMAPTMEN1CYP2C19ALDH1A1
SCHEMBL31188369 0.76 DRD2 (0.49) PDK1MAPTLIMK1CYP2C19ALDH1A1

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-2024049929-A2 PANNEXIN-1 MODULATORS AND METHODS OF TREATING DISORDERS IN WHICH PANNEXIN-1 IS IMPLICATED PANNEX THERAPEUTICS INC. (US) 2024-03-07 WO disclosed