SCHEMBL9841573

SCHEMBL9841573

CCOc1ccc(C(=O)Oc2ccc(S(F)(F)(F)(F)F)c(Cl)c2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.49
CCNC P24863 1/20 0.48
CDK8 P49336 1/20 0.48
PDGFRB P09619 1/20 0.45
PDGFRA P16234 1/20 0.45
PARP10 Q53GL7 1/20 0.43
LMNA P02545 2/20 0.43
MAPT P10636 3/20 0.42
THRB P10828 1/20 0.42
NPC1 O15118 1/20 0.41
PLK1 P53350 1/20 0.41
ALDH1A1 P00352 2/20 0.41
SCN1A P35498 1/20 0.41
SCN2A Q99250 1/20 0.41
SCN3A Q9NY46 1/20 0.41
NPSR1 Q6W5P4 2/20 0.41
KDM4E B2RXH2 1/20 0.41
POLB P06746 1/20 0.41
MAPK1 P28482 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL9841657 0.90 MAPT (0.46) KMT2ALMNAMAPTTHRBNPC1
SCHEMBL9841279 0.90 MAPT (0.52) KMT2ALMNAMAPTNPC1POLB
SCHEMBL9842076 0.88 RXRA (0.40) KMT2ALMNAMAPTNPC1ALDH1A1
SCHEMBL9842417 0.88 LMNA (0.54) KMT2ALMNAMAPTNPC1POLB
SCHEMBL9841400 0.87 NPC1 (0.55) KMT2ALMNAMAPTNPC1POLB
SCHEMBL9842101 0.87 NPC1 (0.55) KMT2ALMNAMAPTNPC1POLB
SCHEMBL9841219 0.87 NPC1 (0.55) KMT2ALMNAMAPTNPC1POLB
SCHEMBL9841437 0.86 KMT2A (0.50) KMT2ACCNCCDK8PDGFRBPDGFRA
SCHEMBL9841888 0.85 MAPT (0.50) KMT2AMAPTTHRBNPC1PLK1
SCHEMBL9841344 0.83 MAPT (0.43) KMT2ALMNAMAPTTHRBNPC1

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