SCHEMBL23398496

SCHEMBL23398496

Cc1ccc(-c2nn(C(C)(C)C)c(-c3ccccc3)c2O)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.46
HPGD P15428 3/20 0.43
SRC P12931 3/20 0.43
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 3/20 0.43
ABL1 P00519 2/20 0.43
RIPK2 O43353 2/20 0.43
PLK4 O00444 1/20 0.43
ROCK2 O75116 1/20 0.43
PRKD3 O94806 1/20 0.43
MAP4K4 O95819 1/20 0.43
EGFR P00533 1/20 0.43
LMNA P02545 1/20 0.43
ERBB2 P04626 1/20 0.43
INSR P06213 1/20 0.43
LCK P06239 1/20 0.43
FYN P06241 1/20 0.43
CSF1R P07333 1/20 0.43
YES1 P07947 1/20 0.43
LYN P07948 1/20 0.43

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
SCHEMBL23402906 1.00 TDP1 (0.46) TDP1HPGDSRCKDM4EALDH1A1
SCHEMBL23400071 0.94 RIPK2 (0.47) TDP1HPGDSRCKDM4EALDH1A1
SCHEMBL23399920 0.92 SRC (0.46) HPGDSRCABL1RIPK2HTR2A
SCHEMBL23399101 0.87 RIPK2 (0.49) TDP1HPGDSRCKDM4EALDH1A1
SCHEMBL23399178 0.86 RIPK2 (0.50) HPGDSRCKDM4EALDH1A1ABL1
SCHEMBL23402319 0.85 TP53 (0.42) TDP1HPGDSRCKDM4EALDH1A1
SCHEMBL23401342 0.81 TDP1 (0.51) TDP1HPGDKDM4EALDH1A1LMNA
SCHEMBL23400590 0.81 TDP1 (0.51) TDP1HPGDKDM4EALDH1A1LMNA
SCHEMBL23400956 0.81 LMNA (0.39) TDP1HPGDSRCKDM4EALDH1A1
SCHEMBL23399277 0.81 SMN1; SMN2 (0.54) HPGDSRCALDH1A1ABL1LMNA

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