SCHEMBL27366718

SCHEMBL27366718

C=C(c1ccc2c(n1)CCC(C(=O)OCC)C2)N(C)C

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 1/20 0.45
KDM4E B2RXH2 5/20 0.37
ALDH1A1 P00352 4/20 0.37
KMT2A Q03164 2/20 0.37
MAPT P10636 3/20 0.36
LIMK1 P53667 1/20 0.36
MAPK1 P28482 2/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
PIK3R1 P27986 1/20 0.35
PIK3CA P42336 1/20 0.35
DRD2 P14416 2/20 0.34
DRD3 P35462 2/20 0.34
HSD17B10 Q99714 2/20 0.34
HPGD P15428 1/20 0.34
CASP1 P29466 1/20 0.34
RAB9A P51151 1/20 0.33
MEN1 O00255 1/20 0.33
LGMN Q99538 1/20 0.33

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
SCHEMBL27366691 0.89 PDK1 (0.46) PDK1KDM4EALDH1A1KMT2AMAPT
SCHEMBL27366654 0.80 PDK1 (0.51) PDK1KDM4EALDH1A1KMT2AMAPT
SCHEMBL27366669 0.79 PDK1 (0.50) PDK1KDM4EALDH1A1KMT2AMAPT
SCHEMBL1107076 0.76 PDK1 (0.47) PDK1KDM4EALDH1A1KMT2AMAPT
SCHEMBL537662 0.76 PDK1 (0.47) PDK1KDM4EALDH1A1KMT2AMAPT
SCHEMBL1208500 0.73 PDK1 (0.45) PDK1KDM4EALDH1A1KMT2AMAPT
SCHEMBL2878655 0.72 DRD2 (0.49) PDK1KDM4EALDH1A1KMT2AMAPT
SCHEMBL27367050 0.70 DRD2 (0.43) PDK1KDM4EALDH1A1KMT2AMAPT
SCHEMBL408718 0.69 PDK1 (0.47) PDK1KDM4EALDH1A1KMT2ALIMK1
SCHEMBL30437453 0.69 KDM4E (0.50) PDK1KDM4EALDH1A1KMT2ATSHR

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