SCHEMBL28034004

SCHEMBL28034004

CCCCCC(CCC)NS(=O)(=O)c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.62
ALDH1A1 P00352 6/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
TSHR P16473 1/20 0.46
MMP12 P39900 6/20 0.45
MMP2 P08253 5/20 0.45
MMP9 P14780 4/20 0.45
MMP8 P22894 3/20 0.45
MMP14 P50281 3/20 0.45
CA2 P00918 2/20 0.45
CA12 O43570 2/20 0.45
CA9 Q16790 2/20 0.45
MMP1 P03956 3/20 0.42
MMP7 P09237 3/20 0.42
MMP13 P45452 3/20 0.42
ACE P12821 2/20 0.42
CA7 P43166 1/20 0.42
CA14 Q9ULX7 1/20 0.41

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
SCHEMBL2228232 0.94 SMN1; SMN2 (0.58) SMN1; SMN2ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL27821808 0.92 SMN1; SMN2 (0.72) SMN1; SMN2ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL14281899 0.91 SMN1; SMN2 (0.58) SMN1; SMN2ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL25525586 0.86 SMN1; SMN2 (0.59) SMN1; SMN2ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL5261326 0.85 SMN1; SMN2 (0.68) SMN1; SMN2ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL18896449 0.81 SMN1; SMN2 (0.77) SMN1; SMN2ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL28716257 0.81 SMN1; SMN2 (0.77) SMN1; SMN2ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL30887502 0.81 CA2 (0.60) SMN1; SMN2ALDH1A1CYP2C9TSHRMMP2
SCHEMBL15220577 0.80 SMN1; SMN2 (0.56) SMN1; SMN2ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL12575259 0.80 CA2 (0.51) SMN1; SMN2ALDH1A1TSHRMMP2MMP9

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
CN-101904026-B OLED device with fluoranthene electron transport material GLOBAL OLED TECHNOLOGY LLC (US) 2015-09-09 CN disclosed