SCHEMBL23401643

SCHEMBL23401643

Cc1ccc(-c2nn(C(C)(C)C)c(O)c2CC(C)C)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK2 O43353 3/20 0.41
HPGD P15428 2/20 0.41
HTT P42858 2/20 0.41
LMNA P02545 2/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
PLK4 O00444 1/20 0.41
ROCK2 O75116 1/20 0.41
PRKD3 O94806 1/20 0.41
MAP4K4 O95819 1/20 0.41
ABL1 P00519 1/20 0.41
EGFR P00533 1/20 0.41
ERBB2 P04626 1/20 0.41
INSR P06213 1/20 0.41
LCK P06239 1/20 0.41
FYN P06241 1/20 0.41
CSF1R P07333 1/20 0.41
YES1 P07947 1/20 0.41
LYN P07948 1/20 0.41
RET P07949 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
SCHEMBL23402450 0.87 SRC (0.40) HPGDABL1SRCKMT2AMEN1
SCHEMBL23402568 0.84 RIPK2 (0.49) RIPK2HPGDLMNAALDH1A1ABL1
SCHEMBL23400269 0.84 LMNA (0.44) RIPK2HPGDHTTLMNAKDM4E
SCHEMBL23400687 0.82 LMNA (0.44) RIPK2HPGDHTTLMNAKDM4E
SCHEMBL23401403 0.81 SMN1; SMN2 (0.43) HPGDLMNAALDH1A1KMT2AMEN1
SCHEMBL23402815 0.81 RET (0.39) HPGDLMNAALDH1A1ABL1EGFR
SCHEMBL23403531 0.81 RIPK2 (0.44) RIPK2HPGDHTTLMNAKDM4E
SCHEMBL23401638 0.81 ALDH1A1 (0.41) RIPK2HPGDHTTLMNAKDM4E
SCHEMBL23401149 0.79 RAB9A (0.36) KDM4EALDH1A1FYNKMT2AMEN1
SCHEMBL23399758 0.78 RIPK2 (0.44) RIPK2HPGDHTTLMNAKDM4E

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-3828159-A1 STORAGE AND TRANSPORT STABILIZERS FOR POLYMERIZABLE COMPOUNDS BASF SE (DE) 2021-06-02 EP disclosed