SCHEMBL9700055

SCHEMBL9700055

Fc1cc(Br)ccc1Cn1c(S)nc2ccc(Cl)nc21

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TRAP1 Q12931 5/20 0.48
HSP90B1 P14625 3/20 0.48
HSP90AA1 P07900 2/20 0.46
HSP90AB1 P08238 1/20 0.42
AKR1A1 P14550 1/20 0.39
AKR1B1 P15121 1/20 0.39
TBXA2R P21731 2/20 0.37
CHRM5 P08912 1/20 0.37
GRM2 Q14416 1/20 0.37
TLR7 Q9NYK1 1/20 0.37
TP53 P04637 1/20 0.36
POLB P06746 1/20 0.34
MAPT P10636 2/20 0.33
MAOB P27338 1/20 0.33
ALOX5AP P20292 1/20 0.33

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
SCHEMBL9701528 0.77 TRAP1 (0.43) TRAP1HSP90B1HSP90AA1HSP90AB1AKR1A1
SCHEMBL9701533 0.74 CTSG (0.42) TRAP1HSP90B1HSP90AA1HSP90AB1AKR1A1
SCHEMBL9701300 0.74 TRAP1 (0.41) TRAP1HSP90B1HSP90AA1HSP90AB1AKR1A1
SCHEMBL9700338 0.72 RAB9A (0.40) TBXA2RPOLBMAPT
SCHEMBL9701302 0.71 PTGDR2 (0.45) TRAP1HSP90B1HSP90AA1AKR1A1AKR1B1
SCHEMBL9683473 0.64 TRAP1 (0.41) TRAP1HSP90B1HSP90AA1HSP90AB1AKR1A1
SCHEMBL31434507 0.62 TRAP1 (0.43) TRAP1HSP90B1HSP90AA1HSP90AB1AKR1A1
SCHEMBL30789000 0.60 PYCR1 (0.46) TRAP1HSP90B1HSP90AA1HSP90AB1AKR1B1
SCHEMBL14892161 0.60 PYCR1 (0.46) TRAP1HSP90B1AKR1B1CHRM5
SCHEMBL12069853 0.60 PYCR1 (0.46) TRAP1HSP90B1HSP90AA1HSP90AB1AKR1B1

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
US-5124336-A Cardiovascular disorders LABORATOIRES UPSA (FR) 1992-06-23 US disclosed