SCHEMBL3194684

SCHEMBL3194684

CCc1cc(CC)c([S+](c2ccccc2)c2ccccc2)c(CC)c1.O=S(=O)([O-])c1ccc(F)cc1F

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.38
HTR2C P28335 2/20 0.38
GAA P10253 1/20 0.37
TSHR P16473 2/20 0.34
MAPK1 P28482 2/20 0.34
KMT2A Q03164 2/20 0.33
ALDH1A1 P00352 1/20 0.33
PKM P14618 1/20 0.33
HTR6 P50406 2/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.31
P2RY4 P51582 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
KCNH2 Q12809 1/20 0.30
MAPT P10636 1/20 0.30
HSD17B10 Q99714 1/20 0.30
KDM2B Q8NHM5 1/20 0.30
METAP2 P50579 1/20 0.30
NR3C1 P04150 1/20 0.30

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
SCHEMBL3192901 0.88 HTR2A (0.38) HTR2AHTR2CGAATSHRMAPK1
SCHEMBL3193857 0.87 HTR2A (0.40) HTR2AHTR2CGAATSHRMAPK1
SCHEMBL3193625 0.87 KMT2A (0.39) HTR2AHTR2CTSHRMAPK1KMT2A
SCHEMBL2537983 0.82 HTR2A (0.38) HTR2AHTR2CGAATSHRMAPK1
SCHEMBL3190403 0.82 KAT6A (0.33) KMT2APKM
SCHEMBL3188835 0.81 PTGS2 (0.33) METAP2
SCHEMBL3189918 0.81 TSHR (0.37) HTR2AHTR2CGAATSHRMAPK1
SCHEMBL548239 0.80 MAPK1 (0.36) HTR2AHTR2CGAATSHRMAPK1
SCHEMBL3197629 0.79 POLQ (0.35) PTGDR2P2RY4MAPT
SCHEMBL3189010 0.78 TP53 (0.43) MAPK1ALDH1A1SMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8206888-B2 Radiation-sensitive resin composition JSR CORPORATION (JP) 2012-06-26 US disclosed
US-20100028800-A1 RADIATION-SENSITIVE RESIN COMPOSITION JSR CORPORATION (JP) 2010-02-04 US disclosed
EP-1953593-A1 RADIATION-SENSITIVE RESIN COMPOSITION JSR Corporation (JP) 2008-08-06 EP disclosed
US-7060414-B2 Radiation-sensitive resin composition JSR CORPORATION (JP) 2006-06-13 US disclosed
US-20050158657-A1 Radiation-sensitive resin composition SUZUKI AKI (JP) 2005-07-21 US disclosed
US-6899989-B2 Radiation-sensitive resin composition JSR CORPORATION (JP) 2005-05-31 US disclosed