SCHEMBL29237489

SCHEMBL29237489

O=C(CBr)C(=O)c1cccc(I)c1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
TP53BP1 Q12888 1/20 0.40
GSK3B P49841 2/20 0.39
PTPN1 P18031 1/20 0.39
GRM5 P41594 1/20 0.39
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
CES2 O00748 5/20 0.38
CES1 P23141 5/20 0.38
F2 P00734 1/20 0.38
MTOR P42345 3/20 0.37
KAT6A Q92794 1/20 0.35
SIGMAR1 Q99720 1/20 0.35

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
SCHEMBL18079795 0.82 CES2 (0.54) HDAC1HDAC2TP53BP1GRM5SLC6A2
SCHEMBL4062826 0.81 GSK3B (0.57) HDAC1HDAC2TP53BP1GSK3BPTPN1
SCHEMBL31026206 0.81 GSK3B (0.57) HDAC1HDAC2TP53BP1GSK3BPTPN1
SCHEMBL29875488 0.76 MTOR (0.44) HDAC1HDAC2TP53BP1PTPN1GRM5
SCHEMBL15209694 0.76 CES2 (0.61) HDAC1HDAC2GRM5CES2CES1
SCHEMBL1435800 0.76 CES2 (0.61) GSK3BPTPN1CES2CES1
SCHEMBL30967896 0.75 MGLL (0.42) HDAC1HDAC2TP53BP1GRM5SLC6A2
SCHEMBL17978148 0.74 LMNA (0.44) HDAC1HDAC2TP53BP1SLC6A2SLC6A3
SCHEMBL3673834 0.73 ATM (0.58) HDAC1HDAC2TP53BP1GRM5F2
SCHEMBL40282 0.71 CA12 (0.58) MTOR

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-118201919-A Indole compounds and methods of use 健赞公司 2024-06-14 CN disclosed