SCHEMBL16301151

SCHEMBL16301151

O=C(NCC1CC2CCC1C2)C(F)(F)S(=O)(=O)O

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
ADORA2A P29274 1/20 0.37
EPHX2 P34913 3/20 0.37
POLB P06746 1/20 0.36
HPGD P15428 1/20 0.34
P2RX7 Q99572 3/20 0.33
IL1B P01584 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
HIF1A Q16665 1/20 0.33
HSD17B10 Q99714 1/20 0.33
SCN9A Q15858 1/20 0.32
BTK Q06187 1/20 0.32
NAMPT P43490 1/20 0.31

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
SCHEMBL10251929 0.82 MEN1 (0.41) MEN1KMT2ANPC1RAB9AADORA2A
SCHEMBL10272972 0.78 EPHX2 (0.50) EPHX2HPGDHSD17B10
SCHEMBL12994516 0.78 MEN1 (0.35) MEN1KMT2ANPC1RAB9AADORA2A
SCHEMBL686988 0.74 SCN9A (0.36) MEN1KMT2ANPC1RAB9AEPHX2
SCHEMBL14390068 0.74 SCN9A (0.36) MEN1KMT2ANPC1RAB9AEPHX2
SCHEMBL16301152 0.73 HDAC6 (0.32)
SCHEMBL668486 0.72 CYP1A2 (0.37) MEN1KMT2ANPC1RAB9AEPHX2
Trifluoromethanesulfonic Acid SCHEMBL27650293 0.72 CYP1A2 (0.37) MEN1KMT2ANPC1RAB9AEPHX2
SCHEMBL4136335 0.72 MEN1 (0.48) MEN1KMT2ANPC1RAB9AADORA2A
SCHEMBL24244856 0.71 EPHX2 (0.33) EPHX2

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
EP-2434343-B1 Resist composition, resist film therefrom and method of forming pattern therewith FUJIFILM CORP (JP) 2019-05-15 EP disclosed
US-20120076996-A1 RESIST COMPOSITION, RESIST FILM THEREFROM AND METHOD OF FORMING PATTERN THEREWITH FUJIFILM CORPORATION (JP) 2012-03-29 US disclosed