SCHEMBL23399564

SCHEMBL23399564

Cc1ccc(-c2nn(C(C)(C)C)cc2O)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
KDM4E B2RXH2 4/20 0.38
HPGD P15428 3/20 0.38
LMNA P02545 2/20 0.38
PLK4 O00444 1/20 0.38
RIPK2 O43353 1/20 0.38
ROCK2 O75116 1/20 0.38
PRKD3 O94806 1/20 0.38
MAP4K4 O95819 1/20 0.38
ABL1 P00519 1/20 0.38
EGFR P00533 1/20 0.38
ERBB2 P04626 1/20 0.38
INSR P06213 1/20 0.38
LCK P06239 1/20 0.38
FYN P06241 1/20 0.38
CSF1R P07333 1/20 0.38
YES1 P07947 1/20 0.38
LYN P07948 1/20 0.38
RET P07949 1/20 0.38
ROS1 P08922 1/20 0.38

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
SCHEMBL23400987 0.84 AURKA (0.37) ALDH1A1KDM4EHPGDLMNAABL1
SCHEMBL23401377 0.81 RIPK2 (0.47) ALDH1A1KDM4ELMNARIPK2ABL1
SCHEMBL23400663 0.77 RAB9A (0.43) ALDH1A1KDM4ELMNACSNK1DMAPK14
SCHEMBL23401093 0.76 SRC (0.38) ALDH1A1KDM4EHPGDLMNAPLK4
SCHEMBL23402521 0.74 KMT2A (0.55) ALDH1A1KDM4ELMNAHTTKMT2A
SCHEMBL23400069 0.74 RAB9A (0.41) ALDH1A1HTTKMT2AMEN1RAB9A
SCHEMBL23401532 0.73 RAB9A (0.38) HPGDLMNAKMT2AMEN1RAB9A
SCHEMBL23399850 0.73
SCHEMBL23399218 0.72 ALDH1A1 (0.43) ALDH1A1KDM4EHPGDLMNAHTT
SCHEMBL23399040 0.70 KMT2A (0.67) ALDH1A1KDM4EHPGDLMNAHTT

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