SCHEMBL8540570

SCHEMBL8540570

O=S(=O)(c1ccccc1)n1c2ccccc2c2cc(Br)ccc21

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 8/20 0.55
SRC P12931 2/20 0.54
TSPO P30536 2/20 0.46
AKR1C3 P42330 1/20 0.46
AKR1C1 Q04828 1/20 0.46
FABP3 P05413 1/20 0.44
FABP4 P15090 1/20 0.44
FABP5 Q01469 1/20 0.44
LMNA P02545 1/20 0.43
PSEN1 P49768 3/20 0.43
PSEN2 P49810 3/20 0.43
APH1B Q8WW43 3/20 0.43
NCSTN Q92542 3/20 0.43
APH1A Q96BI3 3/20 0.43
PSENEN Q9NZ42 3/20 0.43

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
SCHEMBL1898801 0.95 HTR6 (0.58) HTR6SRCAKR1C3AKR1C1LMNA
SCHEMBL8545209 0.88 HTR6 (0.53) HTR6LMNAPSEN1PSEN2APH1B
SCHEMBL12675369 0.87 SRC (0.54) HTR6SRCAKR1C3AKR1C1LMNA
SCHEMBL13387230 0.85 SRC (0.58) HTR6SRCAKR1C3AKR1C1LMNA
SCHEMBL12093313 0.85 HTR6 (0.70) HTR6SRCFABP3FABP4FABP5
SCHEMBL675512 0.82 PTGDR2 (0.48) HTR6SRCLMNA
SCHEMBL24015624 0.81 HTR6 (0.52) HTR6SRCLMNA
SCHEMBL8545151 0.80 PSEN1 (0.59) HTR6LMNAPSEN1PSEN2APH1B
SCHEMBL30661141 0.79 HTR6 (0.47) HTR6LMNAPSEN1PSEN2APH1B
SCHEMBL15910233 0.79 HTR6 (0.47) HTR6LMNAPSEN1PSEN2APH1B

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1177350-A Imidazole derivatives and pharmaceutical compositions thereof YAMANOUCHI PHARMA CO LTD (JP) 1998-03-25 CN disclosed
EP-0820989-A1 IMIDAZOLE DERIVATIVES AND MEDICINAL COMPOSITION THEREOF YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1998-01-28 EP disclosed