SCHEMBL31406334

SCHEMBL31406334

Cc1ccc(C)n1-c1ccc(Cl)c(Br)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.54
CTSB P07858 2/20 0.54
MYC P01106 4/20 0.50
NR4A1 P22736 2/20 0.50
MAPT P10636 6/20 0.49
ALDH1A1 P00352 7/20 0.41
KDM4E B2RXH2 5/20 0.41
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
ALOX15 P16050 3/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
NOTUM Q6P988 2/20 0.41
POLB P06746 3/20 0.40
KLKB1 P03952 1/20 0.40
ELANE P08246 1/20 0.40
MMP9 P14780 1/20 0.40
DUSP3 P51452 1/20 0.40
PKM P14618 1/20 0.40
LMNA P02545 1/20 0.38

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
SCHEMBL15871992 0.81 TDP1 (0.59) TDP1CTSBMYCNR4A1MAPT
SCHEMBL7031169 0.81 MYC (0.59) TDP1CTSBMYCNR4A1MAPT
SCHEMBL20264529 0.79 MAPT (0.51) TDP1CTSBMYCNR4A1MAPT
SCHEMBL1813710 0.77 MAPT (0.49) TDP1CTSBMYCNR4A1MAPT
SCHEMBL30619374 0.76 MAPT (0.49) TDP1CTSBMYCNR4A1MAPT
SCHEMBL28398442 0.76 MAPT (0.49) TDP1CTSBMYCNR4A1MAPT
SCHEMBL23245567 0.76 CTSB (0.54) TDP1CTSBMYCNR4A1MAPT
SCHEMBL31329466 0.76 CTSB (0.54) TDP1CTSBMYCNR4A1MAPT
SCHEMBL12180526 0.75 MYC (0.58) TDP1CTSBMYCNR4A1MAPT
SCHEMBL8387974 0.74 MAPT (0.47) MYCNR4A1MAPTALDH1A1KDM4E

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-2025054369-A1 COMPOUNDS, COMPOSITIONS, AND METHODS NICO THERAPEUTICS, INC. (US) 2025-03-13 WO disclosed