SCHEMBL27791447

SCHEMBL27791447

CC(C)(C)C(=O)Oc1n[nH]cc1-c1ccc(Br)cc1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ SLC22A12 Q96S37 1/20 0.36
▸ ELANE P08246 10/20 0.36
▸ SLC6A3 Q01959 1/20 0.35
▸ ALPL P05186 1/20 0.33
▸ SIRT2 Q8IXJ6 1/20 0.33
▸ PRKCZ Q05513 1/20 0.33
▸ TP53 P04637 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ ATM Q13315 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL27812765 0.84 MAPT (0.37) ELANETP53MAPTKMT2AL3MBTL1
SCHEMBL27964785 0.81 MKNK1 (0.40) ELANE
SCHEMBL28825391 0.78 ELANE (0.40) ELANEMAPT
SCHEMBL27893648 0.73 BTK (0.37) MAPTKMT2A
SCHEMBL27621412 0.72 ELANE (0.40) ELANEMAPTKMT2A
SCHEMBL6024351 0.72 ELANE (0.63) ELANETP53MAPTKMT2A
SCHEMBL3264005 0.71 SMN1; SMN2 (0.38) SIRT2TP53MAPTKMT2AATM
SCHEMBL3639047 0.70 NPC1 (0.36) SLC22A12SLC6A3TP53MAPTKMT2A
SCHEMBL27808009 0.70 ELANE (0.39) ELANEMAPTKMT2A
SCHEMBL27805740 0.70 ELANE (0.39) ELANEMAPT

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
CN-101801963-A Trisubstituted pyrimidine derivatives for the treatment of proliferative diseases ASTRAZENECA AB 2010-08-11 — — CN disclosed
Send feedback