SCHEMBL17816080

SCHEMBL17816080

O=C(Nc1cc(F)c(F)c(F)c1)c1ccc(I)c(SC2CCCC2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.40
TP53 P04637 6/20 0.40
LMNA P02545 4/20 0.40
MAOB P27338 4/20 0.39
HTR2B P41595 1/20 0.37
RARA P10276 2/20 0.37
RARB P10826 2/20 0.37
RARG P13631 2/20 0.37
NPC1 O15118 1/20 0.36
CASP3 P42574 1/20 0.36
RAB9A P51151 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
KCNQ3 O43525 1/20 0.36
KCNQ2 O43526 1/20 0.36
HPGD P15428 1/20 0.35
PDE4D Q08499 1/20 0.35
TAS1R3 Q7RTX0 1/20 0.34
TAS1R1 Q7RTX1 1/20 0.34

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
SCHEMBL17816088 0.99 MAPT (0.41) MAPTTP53LMNAMAOBHTR2B
SCHEMBL17816109 0.92 MAPT (0.37) MAPTTP53LMNAMAOBHTR2B
SCHEMBL17816087 0.92 TP53 (0.37) MAPTTP53LMNAMAOBHTR2B
SCHEMBL17816085 0.92 TP53 (0.37) MAPTTP53LMNAMAOBHTR2B
SCHEMBL17816084 0.91 CYP1A2 (0.37) MAPTTP53LMNAMAOBRARA
SCHEMBL17816081 0.90 CCR2 (0.39) MAPTLMNAMAOBRARARARB
SCHEMBL17816091 0.90 MAPT (0.36) MAPTTP53LMNAMAOBHTR2B
SCHEMBL17784102 0.89 MAPT (0.45) MAPTTP53LMNAMAOBHTR2B
SCHEMBL17816156 0.89 RARA (0.36) MAPTTP53LMNAMAOBRARA
SCHEMBL17816078 0.89 RARA (0.36) MAPTTP53LMNAMAOBRARA

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-2016089990-A1 SULFIDE ALKYL AND PYRIDYL REVERSE SULFONAMIDE COMPOUNDS FOR HBV TREATMENT NOVIRA THERAPEUTICS, INC. (US) 2016-06-09 WO disclosed