SCHEMBL9359334

SCHEMBL9359334

CCC(CSC)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.46
CCR5 P51681 1/20 0.43
TAAR1 Q96RJ0 5/20 0.39
CYP2D6 P10635 1/20 0.39
MIF P14174 1/20 0.38
HKDC1 Q2TB90 1/20 0.37
TRPA1 O75762 1/20 0.37
HTR2A P28223 2/20 0.37
HRH1 P35367 1/20 0.37
AOC3 Q16853 1/20 0.36
NOS3 P29474 1/20 0.36
NOS2 P35228 1/20 0.36
CTSD P07339 1/20 0.36
CTSE P14091 1/20 0.36
BACE1 P56817 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
ESR1 P03372 1/20 0.35
ESR2 Q92731 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
SCHEMBL6057707 0.88 TAAR1 (0.41) LMNATAAR1CYP2D6HTR2AHRH1
SCHEMBL169508 0.83 LMNA (0.56) LMNACCR5TAAR1CYP2D6MIF
SCHEMBL9358758 0.83 LMNA (0.43) LMNACCR5TAAR1CYP2D6MIF
Ammonia Solution, Strong SCHEMBL1640901 0.80 LMNA (0.54) LMNACCR5TAAR1CYP2D6MIF
SCHEMBL9359053 0.80 ESR1 (0.38) LMNACYP2D6NOS3NOS2TDP1
SCHEMBL19734401 0.80 GABBR2 (0.52) TAAR1CYP2D6HTR2AHRH1
Methylamine SCHEMBL27931105 0.78 LMNA (0.52) LMNACCR5TAAR1CYP2D6HTR2A
SCHEMBL13789069 0.78 LMNA (0.40) LMNACCR5CYP2D6
SCHEMBL9358844 0.77 LMNA (0.38) LMNACCR5TAAR1CYP2D6HTR2A
Hypochlorous Acid SCHEMBL11415854 0.76 LMNA (0.56) LMNACCR5TAAR1CYP2D6HKDC1

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
EP-0464131-B1 INITIATORS FOR POLYMERIZATION CIBA GEIGY AG (CH) 1994-12-28 EP claimed