SCHEMBL30482159

SCHEMBL30482159

Cc1c(C#N)cccc1N(C)C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.55
KDM4E B2RXH2 3/20 0.55
MAPT P10636 3/20 0.55
GAA P10253 2/20 0.55
TSHR P16473 1/20 0.45
NISCH Q9Y2I1 1/20 0.42
HTT P42858 1/20 0.39
ROCK2 O75116 1/20 0.37
ROCK1 Q13464 1/20 0.37
CDC42BPA Q5VT25 1/20 0.37
CDC42BPB Q9Y5S2 1/20 0.37
SLC6A4 P31645 3/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A3 Q01959 1/20 0.36
LMNA P02545 1/20 0.36
PLEC Q15149 1/20 0.36
SOS1 Q07889 1/20 0.34
NR3C1 P04150 1/20 0.34
CA1 P00915 1/20 0.33
CA2 P00918 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
SCHEMBL25375578 1.00 ALDH1A1 (0.55) ALDH1A1KDM4EMAPTGAATSHR
Formaldehyde SCHEMBL25376880 0.94 MAPT (0.50) ALDH1A1KDM4EMAPTGAATSHR
SCHEMBL148781 0.80 ALDH1A1 (0.55) ALDH1A1KDM4EMAPTGAATSHR
SCHEMBL819145 0.79 TSHR (0.59) ALDH1A1KDM4EMAPTGAATSHR
SCHEMBL9666898 0.79 MAPT (0.40) ALDH1A1KDM4EMAPTGAATSHR
SCHEMBL10330189 0.79 ALDH1A1 (0.55) ALDH1A1KDM4EMAPTGAATSHR
Iodide SCHEMBL31276096 0.78 ALDH1A1 (0.53) ALDH1A1KDM4EMAPTGAATSHR
SCHEMBL14562499 0.78 MAPT (0.53) ALDH1A1KDM4EMAPTGAATSHR
SCHEMBL29646332 0.78 MAPT (0.53) ALDH1A1KDM4EMAPTGAATSHR
SCHEMBL5642052 0.77 MAPT (0.55) ALDH1A1KDM4EMAPTGAATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4469438-A1 COMPOUNDS AND METHODS OF USE Tango Therapeutics, Inc. (US) 2024-12-04 EP disclosed
WO-2023146987-A1 COMPOUNDS AND METHODS OF USE TANGO THERAPEUTICS, INC. (US) 2023-08-03 WO disclosed