SCHEMBL3197571

SCHEMBL3197571

CCCc1cc(CCC)c([S+](c2ccccc2)c2ccccc2)c(CCC)c1.O=S(=O)([O-])c1ccc(F)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.36
TAAR1 Q96RJ0 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
HSD17B10 Q99714 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
METAP2 P50579 1/20 0.36
CNR2 P34972 2/20 0.34
FFAR4 Q5NUL3 2/20 0.34
FFAR1 O14842 1/20 0.34
CNR1 P21554 1/20 0.34
MAPT P10636 2/20 0.33
LMNA P02545 1/20 0.33
XBP1 P17861 1/20 0.33
HIF1A Q16665 1/20 0.33
MEN1 O00255 1/20 0.33
CA2 P00918 1/20 0.33
PKM P14618 1/20 0.32
SLC16A3 O15427 1/20 0.32

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) KMT2ATSHRMAPK1HTR2AHTR2C
SCHEMBL3189842 0.87 PTGDR2 (0.37) MAPK1MAPTLMNA
SCHEMBL3204378 0.87 KAT6A (0.33) METAP2CNR2CA2PKM
SCHEMBL3193625 0.86 KMT2A (0.39) KMT2ATAAR1TSHRMAPK1HSD17B10
SCHEMBL3182835 0.86 KAT6A (0.34) HTR2AHTR2CCNR2PKM
SCHEMBL3183431 0.83 ALOX5 (0.32) CNR2CNR1LMNAKDM4E
SCHEMBL3183460 0.81
SCHEMBL3194036 0.79 POLQ (0.32)
SCHEMBL3197511 0.78 POLQ (0.34)
SCHEMBL3190654 0.77 FFAR4 (0.47) KMT2ATSHRMAPK1HSD17B10FFAR4

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
US-20100028800-A1 RADIATION-SENSITIVE RESIN COMPOSITION JSR CORPORATION (JP) 2010-02-04 US disclosed
US-20050158657-A1 Radiation-sensitive resin composition SUZUKI AKI (JP) 2005-07-21 US disclosed