SCHEMBL25842241

SCHEMBL25842241

COc1nc(C(C)C)c(O)cc1C#N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.46
LMNA P02545 1/20 0.39
KDM4E B2RXH2 5/20 0.38
ALDH1A1 P00352 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.36
POLB P06746 2/20 0.36
HPGD P15428 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
RECQL P46063 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
AR P10275 2/20 0.33
GLA P06280 1/20 0.33
CASP1 P29466 1/20 0.33
CLK1 P49759 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
SCHEMBL25842325 0.81 GAA (0.42) GAALMNAKDM4EALDH1A1MEN1
SCHEMBL15174914 0.78 GAA (0.60) GAALMNAKDM4EALDH1A1MEN1
SCHEMBL19364028 0.76 SMPD3 (0.42) SMPD3
SCHEMBL25842268 0.70 P2RX3 (0.36) POLBP2RX3P2RX2SMPD3
SCHEMBL9846110 0.70 GAA (0.55) GAALMNAKDM4EALDH1A1MEN1
SCHEMBL18553953 0.70 SOS2 (0.49) GAAKDM4EALDH1A1MEN1KMT2A
SCHEMBL20557305 0.69 GAA (0.43) GAALMNAKDM4EALDH1A1MEN1
SCHEMBL19363988 0.69 P2RX3 (0.67) P2RX3P2RX2
SCHEMBL4077754 0.68 KDM4E (0.51) GAAKDM4EALDH1A1MEN1KMT2A
SCHEMBL25842532 0.68 HTR2A (0.36) SMPD3

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
EP-3433258-B1 PYRIMIDINES AND VARIANTS THEREOF, AND USES THEREFOR AFFERENT PHARMACEUTICALS INC (US) 2023-07-19 EP disclosed