SCHEMBL8313399

SCHEMBL8313399

O=C(NOC1CCCCO1)C1([S+]([O-])c2ccc3nc(N4CCC(Oc5ccc(OC(F)(F)F)cc5)CC4)sc3c2)CCOCC1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 3/20 0.37
SCN4A P35499 1/20 0.37
NR1H4 Q96RI1 5/20 0.36
CASR P41180 1/20 0.35
NPC1 O15118 3/20 0.34
RAB9A P51151 3/20 0.34
MAPT P10636 2/20 0.34
ALDH1A1 P00352 2/20 0.34
LMNA P02545 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TMPRSS15 P98073 3/20 0.34
HPGD P15428 1/20 0.34
HTT P42858 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MCHR1 Q99705 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
SCHEMBL8320080 0.89 SCN9A (0.41) SCN9ASCN4ANR1H4CASRNPC1
SCHEMBL8321916 0.87 SCN4A (0.43) SCN9ASCN4ANR1H4CASRNPC1
SCHEMBL8313312 0.85 RORC (0.39) CASRNPC1RAB9ASMN1; SMN2
SCHEMBL8321036 0.83 SCN9A (0.40) SCN9ASCN4ANR1H4NPC1RAB9A
SCHEMBL8320509 0.77 HCRTR1 (0.31) MAPTALDH1A1HPGD
SCHEMBL6206247 0.75 SCN4A (0.43) SCN9ASCN4ANR1H4CASRNPC1
SCHEMBL6229769 0.74 MMP9 (0.55)
SCHEMBL6097518 0.71 MMP13 (0.43)
SCHEMBL6701004 0.71 SCN9A (0.41) SCN9ASCN4ANR1H4NPC1RAB9A
SCHEMBL6278357 0.70 MMP8 (0.46)

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