SCHEMBL27263256

SCHEMBL27263256

COc1cc(F)c(C(C)C)cc1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.42
NPC1 O15118 1/20 0.42
P2RX3 P56373 2/20 0.41
P2RX2 Q9UBL9 2/20 0.41
TAAR1 Q96RJ0 1/20 0.41
POLB P06746 2/20 0.37
PPOX P50336 1/20 0.37
GFER P55789 1/20 0.37
NPSR1 Q6W5P4 3/20 0.36
LMNA P02545 2/20 0.36
TP53 P04637 1/20 0.36
ALDH1A1 P00352 4/20 0.36
KDM4E B2RXH2 2/20 0.36
THRB P10828 1/20 0.36
RORC P51449 1/20 0.36
KMT2A Q03164 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36
MAPT P10636 2/20 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
SCHEMBL14044153 0.92 P2RX3 (0.44) GAANPC1P2RX3P2RX2TAAR1
SCHEMBL18751316 0.85 GAA (0.44) GAANPC1P2RX3P2RX2POLB
SCHEMBL5166833 0.84 P2RX3 (0.45) GAAP2RX3P2RX2POLBGFER
SCHEMBL13059718 0.82 GAA (0.48) GAAP2RX3P2RX2POLBGFER
SCHEMBL12190518 0.82 P2RX3 (0.48) GAAP2RX3P2RX2POLBGFER
SCHEMBL12781816 0.82 GAA (0.52) GAANPC1P2RX3P2RX2TAAR1
SCHEMBL16940691 0.79 LMNA (0.43) LMNATP53MAPTHPGDSMN1; SMN2
SCHEMBL171073 0.78 POLB (0.46) GAAP2RX3P2RX2TAAR1POLB
SCHEMBL8375911 0.78 GAA (0.40) GAANPC1P2RX3P2RX2TAAR1
SCHEMBL21142303 0.78 GAA (0.48) GAAP2RX3P2RX2POLBGFER

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-2024030651-A1 GPX4 INHIBITORS AND USE THEREOF SONATA THERAPEUTICS, INC. (US) 2024-02-08 WO disclosed