SCHEMBL21991165

SCHEMBL21991165

C=C(O)C1CCC(Sc2cc(C(=O)Nc3cc(F)c(F)c(F)c3)ccc2F)CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARA P10276 2/20 0.37
RARB P10826 2/20 0.37
RARG P13631 2/20 0.37
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
LMNA P02545 3/20 0.37
CASP3 P42574 1/20 0.37
SENP8 Q96LD8 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
SENP6 Q9GZR1 1/20 0.37
MAOB P27338 1/20 0.37
KCNQ3 O43525 3/20 0.36
KCNQ2 O43526 3/20 0.36
TP53 P04637 5/20 0.36
MAPT P10636 5/20 0.36
HTR1F P30939 2/20 0.34
KCNQ5 Q9NR82 1/20 0.34
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
ACKR3 P25106 1/20 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
SCHEMBL17784096 0.91 NPC1 (0.39) RARARARBRARGNPC1RAB9A
SCHEMBL17784094 0.91 NPC1 (0.39) RARARARBRARGNPC1RAB9A
SCHEMBL17784148 0.91 NPC1 (0.39) RARARARBRARGNPC1RAB9A
SCHEMBL17792069 0.88 RARA (0.38) RARARARBRARGNPC1RAB9A
SCHEMBL17792112 0.88 RARA (0.38) RARARARBRARGNPC1RAB9A
SCHEMBL17792070 0.88 RARA (0.38) RARARARBRARGNPC1RAB9A
SCHEMBL18644420 0.87 MAOB (0.38) RARARARBRARGNPC1RAB9A
SCHEMBL17784050 0.87 RARA (0.37) RARARARBRARGNPC1RAB9A
SCHEMBL17792077 0.86 LMNA (0.39) RARARARBRARGNPC1RAB9A
SCHEMBL17784102 0.86 MAPT (0.45) RARARARBRARGNPC1RAB9A

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