SCHEMBL13052299

SCHEMBL13052299

O=S(O)C(F)(F)C(F)(F)OCc1ccc2ccccc2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.40
NPC1 O15118 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
XBP1 P17861 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
SLC1A3 P43003 1/20 0.40
SLC1A2 P43004 1/20 0.40
SLC1A1 P43005 1/20 0.40
ALOX5 P09917 3/20 0.39
PTPN1 P18031 1/20 0.39
MRGPRX4 Q96LA9 1/20 0.38
CYP1A2 P05177 2/20 0.38
RIOK2 Q9BVS4 1/20 0.38
CYP2A6 P11509 1/20 0.38
NLRP3 Q96P20 1/20 0.37
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
RORC P51449 1/20 0.37

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
SCHEMBL10267882 0.80 CYP1A2 (0.43) RAB9ANPC1GAAMAPTXBP1
SCHEMBL1595059 0.77 RORC (0.41) RAB9ANPC1GAAMAPTXBP1
SCHEMBL16328554 0.77 RAB9A (0.42) RAB9ANPC1GAAMAPTXBP1
Lithium Ion SCHEMBL3317101 0.77 RAB9A (0.42) RAB9ANPC1GAAMAPTXBP1
SCHEMBL18103422 0.76 CYP1A2 (0.48) RAB9ASLC1A3SLC1A2SLC1A1ALOX5
SCHEMBL3289610 0.75 RORC (0.42) RAB9ANPC1GAAMAPTXBP1
SCHEMBL10083976 0.75 RORC (0.40) RAB9ANPC1GAAMAPTXBP1
SCHEMBL12968558 0.74 RORC (0.43) RAB9ANPC1GAAMAPTXBP1
Lithium Ion SCHEMBL2994019 0.73 RORC (0.43) RAB9ASLC1A3SLC1A2SLC1A1PTPN1
SCHEMBL11654511 0.72 SLC1A3 (0.47) RAB9ANPC1GAAMAPTXBP1

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-20100297560-A1 POSITIVE RESIST COMPOSITION, METHOD OF FORMING RESIST PATTERN, AND POLYMERIC COMPOUND TOKYO OHKA KOGYO CO., LTD. (JP) 2010-11-25 US disclosed