SCHEMBL21991173

SCHEMBL21991173

O=C(Nc1cc(F)c(F)c(F)c1)c1ccc(F)c(SC2CCCCCC2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.46
TP53 P04637 7/20 0.46
LMNA P02545 4/20 0.46
MAOB P27338 3/20 0.43
HTR2B P41595 1/20 0.41
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
CASP3 P42574 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
KCNQ3 O43525 1/20 0.40
KCNQ2 O43526 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HPGD P15428 1/20 0.39
TAS1R3 Q7RTX0 1/20 0.38
TAS1R1 Q7RTX1 1/20 0.38
TAS1R2 Q8TE23 1/20 0.38
RARA P10276 1/20 0.38
RARB P10826 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
SCHEMBL17784144 1.00 MAPT (0.46) MAPTTP53LMNAMAOBHTR2B
SCHEMBL17784102 0.99 MAPT (0.45) MAPTTP53LMNAMAOBHTR2B
SCHEMBL17784026 0.91 MAPT (0.41) MAPTTP53LMNAMAOBHTR2B
SCHEMBL17792158 0.90 TP53 (0.41) MAPTTP53LMNAMAOBHTR2B
SCHEMBL21991026 0.90 TP53 (0.41) MAPTTP53LMNAMAOBHTR2B
SCHEMBL19473169 0.90 TP53 (0.41) MAPTTP53LMNAMAOBHTR2B
SCHEMBL17784154 0.90 TP53 (0.41) MAPTTP53LMNAMAOBHTR2B
SCHEMBL17792082 0.90 TP53 (0.41) MAPTTP53LMNAMAOBHTR2B
SCHEMBL17784042 0.90 TP53 (0.41) MAPTTP53LMNAMAOBHTR2B
SCHEMBL17784092 0.90 TP53 (0.41) MAPTTP53LMNAHTR2BKCNQ3

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-3227262-B1 SULFIDE ALKYL AND PYRIDYL REVERSE SULFONAMIDE COMPOUNDS FOR HBV TREATMENT NOVIRA THERAPEUTICS INC (US) 2020-05-13 EP disclosed