SCHEMBL23399159

SCHEMBL23399159

Cc1ccc(-c2nn(C)c(O)c2C(C)(C)C)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.37
POLB P06746 1/20 0.37
HPGD P15428 3/20 0.35
ALDH1A1 P00352 5/20 0.35
LMNA P02545 3/20 0.35
KDM4E B2RXH2 2/20 0.35
PLK4 O00444 1/20 0.35
RIPK2 O43353 1/20 0.35
ROCK2 O75116 1/20 0.35
PRKD3 O94806 1/20 0.35
MAP4K4 O95819 1/20 0.35
ABL1 P00519 1/20 0.35
EGFR P00533 1/20 0.35
ERBB2 P04626 1/20 0.35
INSR P06213 1/20 0.35
LCK P06239 1/20 0.35
FYN P06241 1/20 0.35
CSF1R P07333 1/20 0.35
YES1 P07947 1/20 0.35
LYN P07948 1/20 0.35

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
SCHEMBL23402649 0.85 RECQL (0.43) SMN1; SMN2POLBHPGDALDH1A1LMNA
SCHEMBL23400787 0.82 ALDH1A1 (0.46) SMN1; SMN2HPGDALDH1A1LMNAKDM4E
SCHEMBL23402503 0.81 RIPK2 (0.43) ALDH1A1LMNAKDM4ERIPK2ABL1
SCHEMBL23402438 0.81 ALDH1A1 (0.43) SMN1; SMN2HPGDALDH1A1LMNAKDM4E
SCHEMBL23402234 0.81 ESR1 (0.42) HPGDALDH1A1LMNAKDM4EPLK4
SCHEMBL23398461 0.80 ESR1 (0.44) SMN1; SMN2ALDH1A1KDM4EMAPTRAB9A
SCHEMBL23400432 0.80 TP53 (0.39) SMN1; SMN2HPGDALDH1A1LMNAKDM4E
SCHEMBL23399473 0.79 SMN1; SMN2 (0.40) SMN1; SMN2POLBHPGDALDH1A1LMNA
SCHEMBL23400422 0.77 MAPK14 (0.40) SMN1; SMN2POLBHPGDALDH1A1LMNA
SCHEMBL23401734 0.77 GRM5 (0.36) SMN1; SMN2POLBHPGDALDH1A1LMNA

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