SCHEMBL31357993

SCHEMBL31357993

COc1cc(Cl)c2c(c1)c(I)cn2C(=O)OC(C)(C)C

nearest known ligand 0.32

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.32
HSP90AB1 P08238 1/20 0.32
SUV39H2 Q9H5I1 2/20 0.32
HTR6 P50406 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TP53 P04637 1/20 0.32
PTGS1 P23219 1/20 0.31
PTGS2 P35354 1/20 0.31
MTNR1A P48039 1/20 0.31
MTNR1B P49286 1/20 0.31
PDE10A Q9Y233 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
SCHEMBL19876662 0.84 HSP90AA1 (0.33) HSP90AA1HSP90AB1HTR6L3MBTL1
SCHEMBL31370502 0.82 HTR6 (0.36) HSP90AA1HSP90AB1HTR6PTGS1MTNR1A
SCHEMBL14304582 0.77 AKR1C3 (0.47) HTR6ALDH1A1PTGS1MTNR1AMTNR1B
SCHEMBL29942639 0.77 AKR1C3 (0.47) HTR6ALDH1A1PTGS1MTNR1AMTNR1B
SCHEMBL17518510 0.76 CYP3A4 (0.34) HSP90AA1HSP90AB1HTR6L3MBTL1
SCHEMBL31357981 0.74 DGAT2 (0.40) SUV39H2HTR6ALDH1A1TP53
SCHEMBL29162329 0.74 HTR6 (0.40) HTR6ALDH1A1MTNR1AMTNR1BPDE10A
SCHEMBL12422250 0.74 HSP90AA1 (0.40) HSP90AA1HSP90AB1SUV39H2ALDH1A1TP53
SCHEMBL31424127 0.72 L3MBTL1 (0.39) MTNR1AMTNR1BPDE10AL3MBTL1
SCHEMBL14605052 0.71 POLB (0.42) HSP90AA1HSP90AB1HTR6L3MBTL1

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-2024259241-A1 5-HT2A RECEPTOR MODULATORS AND METHODS OF USE THEREOF Transneural Therapeutics, Inc. (US) 2024-12-19 WO disclosed