SCHEMBL28060767

SCHEMBL28060767

O=S(=O)(c1cccc(CBr)c1)c1cccc(CBr)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 3/20 0.55
LMNA P02545 2/20 0.48
ALDH1A1 P00352 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
TSHR P16473 2/20 0.44
KMT2A Q03164 2/20 0.42
GAA P10253 1/20 0.42
HTT P42858 1/20 0.42
TRPA1 O75762 1/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
TNF P01375 1/20 0.41
NOD1 Q9Y239 1/20 0.41
MAPT P10636 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
HPGD P15428 1/20 0.40
MAPK1 P28482 1/20 0.39
CA2 P00918 2/20 0.38
CA1 P00915 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
SCHEMBL8141821 0.94 HTR6 (0.64) HTR6LMNAALDH1A1SMN1; SMN2TSHR
SCHEMBL29411715 0.83 ALDH1A1 (0.46) HTR6ALDH1A1SMN1; SMN2TSHRGAA
SCHEMBL2181186 0.83 CA2 (0.61) HTR6LMNAALDH1A1MAPTCA2
SCHEMBL22124430 0.83 ALDH1A1 (0.52) HTR6LMNAALDH1A1SMN1; SMN2TSHR
SCHEMBL533931 0.83 ALDH1A1 (0.46) HTR6ALDH1A1SMN1; SMN2TSHRGAA
SCHEMBL31708776 0.83 NPC1 (0.42) HTR6LMNAALDH1A1TSHRKMT2A
SCHEMBL11207039 0.83 NPC1 (0.42) HTR6LMNAALDH1A1TSHRKMT2A
SCHEMBL2326633 0.83 ALDH1A1 (0.46) HTR6ALDH1A1TSHRKMT2ATRPA1
SCHEMBL23214313 0.82 PSIP1 (0.52) HTR6ALDH1A1SMN1; SMN2TSHRKMT2A
SCHEMBL31563644 0.82 LMNA (0.42) HTR6LMNAALDH1A1TSHRKMT2A

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-105504232-A Novel method for preparing copolymer based on co-coupling reaction of two different kinds of carbon free radicals UNIV ZHEJIANG 2016-04-20 CN disclosed