SCHEMBL27900201

SCHEMBL27900201

Cc1ccc(S(=O)(=O)NCC2CCN(C(=O)O)CC2)cc1C

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCR8 P51685 1/20 0.53
ALDH1A1 P00352 6/20 0.51
KMT2A Q03164 3/20 0.51
MEN1 O00255 2/20 0.51
CYP2C9 P11712 1/20 0.51
TGFBR1 P36897 4/20 0.50
PKM P14618 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
MAPK1 P28482 1/20 0.46
MGLL Q99685 1/20 0.46
LMNA P02545 1/20 0.46
GBA1 P04062 1/20 0.46
USP9X Q93008 1/20 0.46

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
SCHEMBL27917796 0.86 ALDH1A1 (0.68) ALDH1A1KMT2AMEN1CYP2C9PKM
SCHEMBL22639972 0.85 CCR8 (0.63) CCR8ALDH1A1KMT2AMEN1PKM
SCHEMBL27917785 0.84 ALDH1A1 (0.54) ALDH1A1KMT2AMEN1CYP2C9TGFBR1
SCHEMBL27917918 0.83 MGLL (0.51) CCR8ALDH1A1KMT2AMEN1CYP2C9
SCHEMBL27917838 0.82 BCHE (0.65) ALDH1A1TGFBR1PKMLMNAGBA1
SCHEMBL27917924 0.82 ALDH1A1 (0.70) ALDH1A1KMT2AMEN1TGFBR1PKM
SCHEMBL14834137 0.81 MGLL (0.65) ALDH1A1KMT2AMEN1CYP2C9PKM
SCHEMBL18446034 0.81 HTR1A (0.54) ALDH1A1KMT2AMEN1CYP2C9PKM
SCHEMBL14834130 0.81 MGLL (0.74) CCR8ALDH1A1KMT2AMEN1TGFBR1
SCHEMBL27917786 0.81 ALDH1A1 (0.62) ALDH1A1TGFBR1PKMLMNA

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-103068797-A Hexafluoroisopropyl carbamate derivatives, their preparation and their therapeutic application SANOFI SA 2013-04-24 CN disclosed