SCHEMBL21130218

SCHEMBL21130218

CC(C)Oc1ccccc1Oc1ccc(C(F)(F)F)cc1C=O

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SCN8A Q9UQD0 7/20 0.50
SCN10A Q9Y5Y9 7/20 0.50
RXFP1 Q9HBX9 1/20 0.41
MAPT P10636 2/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
NPSR1 Q6W5P4 1/20 0.38
DRD2 P14416 1/20 0.36
ADRA1D P25100 1/20 0.36
ADRA1A P35348 1/20 0.36
ADRA1B P35368 1/20 0.36
LMNA P02545 2/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
ALDH1A1 P00352 2/20 0.35

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
SCHEMBL19563650 0.85 ALDH1A1 (0.44) MAPTCYP1A2CYP2C9CYP2C19NPSR1
SCHEMBL22809605 0.82 SCN8A (0.47) SCN8ASCN10ARXFP1MAPTCYP1A2
SCHEMBL19563618 0.82 SCN8A (0.47) SCN8ASCN10AMAPTCYP1A2CYP2C9
SCHEMBL22809656 0.82 HPGD (0.53) SCN8ASCN10ARXFP1MAPTCYP1A2
SCHEMBL19524146 0.80 KMT2A (0.49) SCN8ASCN10AMAPTNPSR1LMNA
SCHEMBL19524139 0.80 SCN8A (0.52) SCN8ASCN10AALDH1A1
SCHEMBL957598 0.79 ALDH1A1 (0.41) SCN8ASCN10ARXFP1MAPTCYP1A2
SCHEMBL7138558 0.77 LMNA (0.57) SCN8ASCN10ARXFP1MAPTCYP1A2
SCHEMBL22809693 0.77 SCN8A (0.48) SCN8ASCN10AMAPTCYP2C9CYP2C19
SCHEMBL18570597 0.77 SCN8A (0.48) SCN8ASCN10ATDP1ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3239134-B1 PYRIDONE AMIDES AS MODULATORS OF SODIUM CHANNELS VERTEX PHARMA (US) 2020-12-23 EP disclosed
EP-2951155-B1 AMIDES AS MODULATORS OF SODIUM CHANNELS VERTEX PHARMA (US) 2019-06-19 EP disclosed