SCHEMBL31035313

SCHEMBL31035313

CC(=O)c1cc(C)cc2c(=O)c(C)c(N(C)C)oc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.36
HSD17B10 Q99714 2/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HTT P42858 1/20 0.33
NCOA3 Q9Y6Q9 1/20 0.33
GAA P10253 1/20 0.32
TSHR P16473 1/20 0.32
AKT1 P31749 1/20 0.31
AKT2 P31751 1/20 0.31
AKT3 Q9Y243 1/20 0.31
CDK2 P24941 2/20 0.31
ESR1 P03372 1/20 0.31
ESR2 Q92731 1/20 0.31
HSD11B1 P28845 1/20 0.31
MAOB P27338 4/20 0.31
MAOA P21397 2/20 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
SCHEMBL31035338 0.78 KDM4E (0.35) KDM4EHSD17B10NPC1ALDH1A1MAPT
SCHEMBL31035336 0.77 ESR1 (0.40) ALDH1A1MAPTCDK2ESR1ESR2
SCHEMBL31035222 0.76 KDM4E (0.34) KDM4EHSD17B10NPC1ALDH1A1MAPT
SCHEMBL31035774 0.75 AKT1 (0.37) KDM4EHSD17B10AKT1AKT2AKT3
SCHEMBL24912981 0.75 ALDH1A1 (0.50) KDM4ENPC1ALDH1A1MAPTRAB9A
SCHEMBL23887184 0.75 KDM4E (0.33) KDM4EHSD17B10NPC1ALDH1A1MAPT
SCHEMBL23887230 0.74 AKT1 (0.56) AKT1AKT2AKT3PIK3CA
SCHEMBL31035207 0.74 PIK3CA (0.51) AKT1AKT2AKT3PIK3CA
SCHEMBL31035139 0.73 AKT1 (0.46) NPC1ALDH1A1SMN1; SMN2TSHRAKT1
SCHEMBL31035046 0.73 KDM4E (0.32) KDM4EHSD17B10NPC1ALDH1A1MAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4680612-A1 CHEMICAL COMPOUNDS AN2 Therapeutics, Inc. (US) 2026-01-21 EP disclosed
WO-2024192309-A1 CHEMICAL COMPOUNDS REACTIVE BIOSCIENCES, INC. (US) 2024-09-19 WO disclosed