SCHEMBL8313312

SCHEMBL8313312

O=C(NOC1CCCCO1)C1([S+]([O-])c2ccc3nc(-c4ccc(OC(F)(F)F)cc4)sc3c2)CCOCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.39
LIPG Q9Y5X9 4/20 0.35
LIPC P11150 3/20 0.35
CSNK1D P48730 1/20 0.34
DYRK1A Q13627 1/20 0.34
CASR P41180 1/20 0.34
WNT3A P56704 1/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
CSNK2A2 P19784 1/20 0.33
CSNK2B P67870 1/20 0.33
CSNK2A1 P68400 1/20 0.33
CSNK2A3 Q8NEV1 1/20 0.33
APP P05067 1/20 0.33
TP53 P04637 1/20 0.33
DGAT1 O75907 1/20 0.33
RIPK1 Q13546 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL8313399 0.85 SCN9A (0.37) CASRNPC1RAB9ASMN1; SMN2
SCHEMBL6278357 0.84 MMP8 (0.46) RORCLIPGLIPCMMP3MMP9
SCHEMBL8320498 0.80 RORC (0.43) RORCLIPGLIPCCSNK1DDYRK1A
SCHEMBL8320509 0.77 HCRTR1 (0.31) CA12CA1CA2
SCHEMBL6234746 0.75 MMP2 (0.44) RORCLIPGLIPCCSNK1DMMP3
SCHEMBL8312860 0.74 RORC (0.37) RORCNPC1RAB9ACYP2C9SMN1; SMN2
SCHEMBL6230548 0.73 MMP13 (0.41) RORCNPC1RAB9ATP53CYP2C9
SCHEMBL6230523 0.73 MMP2 (0.46) RORCSMN1; SMN2MMP3MMP9MMP8
SCHEMBL8320080 0.72 SCN9A (0.41) CASRNPC1RAB9ATP53SMN1; SMN2
SCHEMBL8312513 0.72 MMP13 (0.45) RORCMMP3MMP9MMP8MMP2

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
WO-2004048368-A2 HETEROARYLSULFONYLMETHYL HYDROXAMIC ACIDS AND AMIDES AND THEIR USE AS PROTEASE INHIBITORS PHARMACIA CORPORATION (US) 2004-06-10 WO disclosed