SCHEMBL9841908

SCHEMBL9841908

CCCOc1ccc(C(=O)Oc2ccc([S])c(F)c2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.52
KMT2A Q03164 4/20 0.52
SMN1; SMN2 Q16637 4/20 0.47
PRSS1 P07477 1/20 0.47
ACR P10323 1/20 0.47
LMNA P02545 5/20 0.47
CYP1A2 P05177 3/20 0.47
CYP2C19 P33261 3/20 0.47
NPC1 O15118 2/20 0.47
CYP2C9 P11712 2/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
L3MBTL1 Q9Y468 3/20 0.47
PLK1 P53350 1/20 0.47
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
THRB P10828 1/20 0.43
MAPK1 P28482 2/20 0.43
TSHR P16473 1/20 0.42

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
Fluoride SCHEMBL9841273 0.94 MAPT (0.57) MAPTKMT2ASMN1; SMN2PRSS1ACR
Fluoride SCHEMBL9841436 0.88 KMT2A (0.51) MAPTKMT2ALMNANPC1PLK1
SCHEMBL9841900 0.84 LMNA (0.50) MAPTKMT2ASMN1; SMN2PRSS1ACR
Fluoride SCHEMBL9841811 0.84 RXRA (0.41) MAPTKMT2APRSS1LMNANPC1
Fluoride SCHEMBL9841654 0.83 MAPT (0.51) MAPTKMT2ASMN1; SMN2PRSS1ACR
Fluoride SCHEMBL9841586 0.83 MAPT (0.45) MAPTKMT2ASMN1; SMN2PRSS1ACR
Fluoride SCHEMBL9842106 0.82 LMNA (0.56) MAPTKMT2ASMN1; SMN2PRSS1ACR
SCHEMBL9905870 0.81 LMNA (0.65) MAPTKMT2ASMN1; SMN2PRSS1ACR
SCHEMBL17515627 0.81 LMNA (0.65) MAPTKMT2ASMN1; SMN2PRSS1ACR
Fluoride SCHEMBL9841672 0.81 MAPT (0.43) MAPTKMT2ASMN1; SMN2PRSS1ACR

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-5055223-A For use in liquid crystal display elements MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1991-10-08 US disclosed