SCHEMBL24460261

SCHEMBL24460261

Cc1ncc(-c2ccc(OC(F)(F)F)cc2)n1C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATP1A1 P05023 1/20 0.55
ATP1B1 P05026 1/20 0.55
ATP1A3 P13637 1/20 0.55
ATP1B2 P14415 1/20 0.55
ATP1A2 P50993 1/20 0.55
ATP1B3 P54709 1/20 0.55
FXYD2 P54710 1/20 0.55
ATP1A4 Q13733 1/20 0.55
MAPT P10636 3/20 0.45
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
SCN5A Q14524 5/20 0.43
SCN10A Q9Y5Y9 6/20 0.43
KCNH2 Q12809 3/20 0.43
SCN1A P35498 1/20 0.43
SCN9A Q15858 1/20 0.43
SCN2A Q99250 1/20 0.43
SCN8A Q9UQD0 1/20 0.43
TDP2 O95551 1/20 0.42
POLB P06746 1/20 0.41

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
SCHEMBL24460279 0.80 ATP1A1 (0.43) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL14077014 0.76 GAA (0.54) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL19973142 0.74 ATP1A1 (0.47) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL20075887 0.74 GSK3B (0.48) MAPTMEN1KMT2APOLBTP53
SCHEMBL19981228 0.74 ATP1A1 (0.45) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL22845298 0.73 POLB (0.45) MAPTPOLBTP53GAAGSK3B
SCHEMBL14077000 0.73 USP2 (0.66) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL12492258 0.73 TP53 (0.51) MAPTMEN1KMT2ATP53GAA
SCHEMBL26361711 0.73 SCN5A (0.56) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL12721184 0.72 CYP1A2 (0.63) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2

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-2022108849-A1 HETEROCYCLIC COMPOUNDS AS THERAPEUTIC AGENTS ARISAN THERAPEUTICS INC. (US) 2022-05-27 WO disclosed