SCHEMBL8135299

SCHEMBL8135299

CC(C)(C)c1ccc(S(=O)(=O)c2ccc(C(C)(C)C)c(N)c2)cc1N

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.52
GAA P10253 3/20 0.52
ALDH1A1 P00352 6/20 0.50
PKM P14618 3/20 0.50
HTR6 P50406 2/20 0.50
NPC1 O15118 2/20 0.41
LMNA P02545 4/20 0.41
TSHR P16473 2/20 0.41
CYP2C9 P11712 2/20 0.41
MPO P05164 1/20 0.41
CYP3A4 P08684 1/20 0.41
POLB P06746 1/20 0.38
MAPK1 P28482 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
KMT2A Q03164 4/20 0.38
KDM4E B2RXH2 3/20 0.38
MEN1 O00255 3/20 0.38

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
SCHEMBL5377674 0.84 HTR6 (0.50) MAPTGAAALDH1A1PKMHTR6
SCHEMBL15744782 0.81 POLB (0.42) MAPTGAAALDH1A1PKMHTR6
SCHEMBL8174103 0.80 GAA (0.52) MAPTGAAALDH1A1PKMHTR6
SCHEMBL14116999 0.78 GAA (0.43) MAPTGAAALDH1A1PKMNPC1
SCHEMBL29462648 0.73 ALDH1A1 (0.83) MAPTGAAALDH1A1PKMHTR6
SCHEMBL6659575 0.73 ALDH1A1 (0.83) MAPTGAAALDH1A1PKMHTR6
SCHEMBL636445 0.73 ALDH1A1 (0.83) MAPTGAAALDH1A1PKMHTR6
SCHEMBL29484233 0.73 ALDH1A1 (0.83) MAPTGAAALDH1A1PKMHTR6
SCHEMBL24852674 0.73 G6PD (0.49) MAPTGAAALDH1A1PKMLMNA
SCHEMBL7167301 0.73 POLB (0.41) MAPTGAAALDH1A1PKMNPC1

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-6051677-A Gas separating membrane having a polycarbodiimide resin layer NITTO DENKO CORPORATION (JP) 2000-04-18 US disclosed