SCHEMBL24937485

SCHEMBL24937485

COC(=O)C(C)OCc1ccncc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 3/20 0.45
POLB P06746 2/20 0.42
NAMPT P43490 1/20 0.42
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
MAOB P27338 2/20 0.40
MAOA P21397 1/20 0.40
PTGS2 P35354 1/20 0.40
CYP17A1 P05093 1/20 0.40
RAB9A P51151 1/20 0.40
HTT P42858 1/20 0.40
KDM4E B2RXH2 1/20 0.40
KMT2A Q03164 1/20 0.40
TSHR P16473 2/20 0.39
ALDH1A1 P00352 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CYP3A4 P08684 1/20 0.39

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
SCHEMBL30152027 1.00 CYP19A1 (0.45) CYP19A1POLBNAMPTLMNAMAPT
SCHEMBL24936696 1.00 CYP19A1 (0.45) CYP19A1POLBNAMPTLMNAMAPT
SCHEMBL29211441 0.83 CYP19A1 (0.45) CYP19A1POLBLMNAMAPTMAPK1
SCHEMBL24937323 0.83 CYP19A1 (0.45) CYP19A1POLBLMNAMAPTMAPK1
SCHEMBL584760 0.83 ALDH1A1 (0.52) LMNAMAPTMAPK1KMT2AALDH1A1
SCHEMBL2384186 0.83 ALDH1A1 (0.52) LMNAMAPTMAPK1KMT2AALDH1A1
SCHEMBL24936695 0.83 CYP19A1 (0.45) CYP19A1POLBLMNAMAPTMAPK1
SCHEMBL584761 0.83 ALDH1A1 (0.52) LMNAMAPTMAPK1KMT2AALDH1A1
SCHEMBL12437265 0.80 TDP1 (0.46) POLBLMNAMAPTMAOBKDM4E
SCHEMBL15409086 0.80 HTT (0.53) POLBMAPTRAB9AHTTALDH1A1

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
WO-2023010051-A1 PROTEIN SECRETION INHIBITORS GATE BIOSCIENCE, INC. (US) 2023-02-02 WO disclosed