SCHEMBL29920679

SCHEMBL29920679

CC(C)(C1(O)CCOc2cc(F)ccc21)S(N)(=O)=O

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 5/20 0.41
RIPK1 Q13546 2/20 0.37
AKR1B10 O60218 1/20 0.36
MAPT P10636 1/20 0.36
AKR1A1 P14550 1/20 0.36
MAP3K14 Q99558 3/20 0.35
CA2 P00918 1/20 0.34
CNR1 P21554 2/20 0.32
LMNA P02545 1/20 0.32
HDAC4 P56524 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL29920680 0.79 AKR1B1 (0.37) AKR1B1RIPK1LMNA
SCHEMBL12258493 0.69 AKR1B1 (0.47) AKR1B1AKR1B10MAPTAKR1A1MAP3K14
SCHEMBL29920342 0.67 AKR1B1 (0.36) AKR1B1RIPK1LMNA
SCHEMBL31372173 0.67 AKR1B1 (0.44) AKR1B1AKR1B10MAPTAKR1A1MAP3K14
SCHEMBL12234883 0.65 AKR1B1 (0.41) AKR1B1RIPK1AKR1B10MAPTAKR1A1
SCHEMBL15236792 0.63 AKR1B1 (0.39) AKR1B1AKR1B10MAPTAKR1A1MAP3K14
SCHEMBL9824148 0.62 AKR1B1 (0.59) AKR1B1AKR1B10MAPTAKR1A1
SCHEMBL7867894 0.61 AKR1B10 (0.80) AKR1B1AKR1B10MAPTAKR1A1
SCHEMBL12620675 0.61 AKR1B10 (0.80) AKR1B1AKR1B10MAPTAKR1A1
SCHEMBL17729307 0.61 AKR1B1 (0.55) AKR1B1AKR1B10MAPTAKR1A1KMT2A

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-2022217248-A1 SUBSTITUTED SULFONAMIDE-CHROMAN COMPOUNDS, AND PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. (US) 2022-10-13 WO disclosed