SCHEMBL19554255

SCHEMBL19554255

Nc1cc(OC2COC2)c(F)cc1C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 2/20 0.38
AKR1A1 P14550 1/20 0.37
AKR1B1 P15121 1/20 0.37
KMO O15229 2/20 0.36
PRKAB2 O43741 1/20 0.36
PRKAG1 P54619 1/20 0.36
PRKAA2 P54646 1/20 0.36
PRKAA1 Q13131 1/20 0.36
PRKAG3 Q9UGI9 1/20 0.36
PRKAG2 Q9UGJ0 1/20 0.36
PRKAB1 Q9Y478 1/20 0.36
IDO1 P14902 1/20 0.35
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 3/20 0.33
MAPT P10636 2/20 0.33
KMT2A Q03164 2/20 0.33
GFER P55789 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
POLB P06746 2/20 0.33
HPGD P15428 2/20 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
SCHEMBL19554189 0.80 AKR1A1 (0.33) AKR1A1AKR1B1ATR
SCHEMBL19554358 0.80 MAPK8 (0.36) KMOPRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL28868065 0.75 PDE4D (0.51) KDM4EMAPK8MAPK9PDE4D
SCHEMBL28868070 0.75 PDE4D (0.51) KDM4EMAPK8MAPK9PDE4D
SCHEMBL6990530 0.74 MAPK8 (0.41) MAPK8MAPK9PDE4D
SCHEMBL7221383 0.74 MAPK8 (0.41) MAPK8MAPK9PDE4D
SCHEMBL2593591 0.74 RAB9A (0.55) AKR1A1AKR1B1KMOALDH1A1KDM4E
SCHEMBL19554326 0.73 KDM4E (0.51) KEAP1IDO1ALDH1A1KDM4EMAPT
SCHEMBL28779927 0.73 MAPK8 (0.40) MAPK8MAPK9PDE4D
SCHEMBL28779932 0.73 MAPK8 (0.40) MAPK8MAPK9PDE4D

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-2017192304-A1 ARYLCARBOXAMIDES AND USES THEREOF INCEPTION 1, INC. (US) 2017-11-09 WO disclosed