SCHEMBL28664475

SCHEMBL28664475

CNC(=O)c1cc(C(C)(C)C)cc(OC(N)=O)c1OC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
TP53 P04637 1/20 0.38
ALDH1A1 P00352 2/20 0.37
HPGD P15428 2/20 0.37
PLK1 P53350 1/20 0.35
NR1H4 Q96RI1 3/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
PDE3B Q13370 1/20 0.34
PDE3A Q14432 1/20 0.34
LMNA P02545 2/20 0.33
EPHX2 P34913 1/20 0.33
RARG P13631 1/20 0.33
RXRA P19793 1/20 0.33
PPARG P37231 1/20 0.33
SRC P12931 1/20 0.33
SYK P43405 1/20 0.33
GSK3A P49840 1/20 0.33
MAPK14 Q16539 1/20 0.33

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
SCHEMBL690167 0.86 MAPT (0.38) MAPTSMN1; SMN2TP53ALDH1A1HPGD
SCHEMBL5118526 0.80 MAPT (0.38) MAPTSMN1; SMN2TP53ALDH1A1HPGD
SCHEMBL19047476 0.77 MAPK14 (0.39) MAPTSMN1; SMN2TP53ALDH1A1HPGD
SCHEMBL28756320 0.77 MAPK14 (0.37) MAPTSMN1; SMN2TP53SRCSYK
Hydrochloric Acid SCHEMBL7795325 0.76 RARG (0.35) MAPTSMN1; SMN2TP53ALDH1A1HPGD
SCHEMBL19047477 0.75 MAPT (0.36) MAPTSMN1; SMN2TP53ALDH1A1HPGD
SCHEMBL28942237 0.75 CA1 (0.38) MAPTSMN1; SMN2TP53ALDH1A1PDE3B
SCHEMBL690623 0.74 RARG (0.41) MAPTSMN1; SMN2TP53ALDH1A1HPGD
SCHEMBL28756194 0.74 GSK3A (0.39) SRCSYKGSK3AMAPK14
SCHEMBL28650716 0.74 MAPT (0.33) MAPTSMN1; SMN2TP53ALDH1A1MEN1

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-109071505-B Kinase inhibitors 奥苏拉收购有限公司 2021-11-16 CN disclosed