SCHEMBL19664495

SCHEMBL19664495

Cc1cc(C)c(OCC(F)F)c(C)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.47
MAPT P10636 1/20 0.47
SCN4A P35499 11/20 0.42
NR3C1 P04150 1/20 0.40
LMNA P02545 2/20 0.38
SCN1A P35498 2/20 0.38
SCN5A Q14524 2/20 0.38
SCN9A Q15858 2/20 0.38
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2D6 P10635 2/20 0.38
NFKB1 P19838 2/20 0.38
CYP2C9 P11712 1/20 0.38
TSHR P16473 1/20 0.38
KCNK3 O14649 1/20 0.38
CACNA1F O60840 1/20 0.38
KCNK2 O95069 1/20 0.38
GBA1 P04062 1/20 0.38
MAOA P21397 1/20 0.38
HTR2A P28223 1/20 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
SCHEMBL27914049 0.82 SCN4A (0.39) GLAMAPTSCN4ALMNASCN1A
SCHEMBL17159714 0.81 SCN4A (0.36) GLAMAPTSCN4ALMNASCN1A
SCHEMBL2715708 0.80 SCN4A (0.41) GLAMAPTSCN4ALMNASCN1A
SCHEMBL4550829 0.80 SCN4A (0.45) GLAMAPTSCN4ALMNASCN1A
SCHEMBL2714554 0.80 SCN4A (0.38) GLAMAPTSCN4ALMNASCN1A
SCHEMBL27931943 0.80 SCN4A (0.38) GLAMAPTSCN4ANR3C1LMNA
Hydrochloric Acid SCHEMBL28093621 0.79 GLA (0.39) GLAMAPTSCN4ALMNASCN1A
SCHEMBL4550431 0.79 SCN4A (0.46) SCN4ALMNASCN1ASCN5ASCN9A
Hydrochloric Acid SCHEMBL2717073 0.79 SCN4A (0.44) GLAMAPTSCN4ALMNASCN1A
Hydrochloric Acid SCHEMBL2716056 0.77 SCN5A (0.46) GLAMAPTSCN4ALMNASCN1A

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
EP-2914597-B1 PYRAZOLOPYRIDINE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC (JP) 2017-12-06 EP disclosed