SCHEMBL17816134

SCHEMBL17816134

O=C(Nc1cc(F)c(F)c(F)c1)c1ccc(I)c(SC2CCC(C(=O)O)CC2)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARA P10276 2/20 0.36
RARB P10826 2/20 0.36
RARG P13631 2/20 0.36
NPC1 O15118 3/20 0.34
RAB9A P51151 3/20 0.34
MAOB P27338 3/20 0.34
LMNA P02545 2/20 0.34
CASP3 P42574 1/20 0.34
SENP8 Q96LD8 1/20 0.34
SENP7 Q9BQF6 1/20 0.34
SENP6 Q9GZR1 1/20 0.34
DGAT1 O75907 3/20 0.34
TP53 P04637 2/20 0.34
MAPT P10636 2/20 0.34
KCNQ3 O43525 1/20 0.34
KCNQ2 O43526 1/20 0.34
ATM Q13315 1/20 0.34
SOAT1 P35610 1/20 0.33
HTR1F P30939 1/20 0.33
PARP14 Q460N5 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
SCHEMBL17816156 1.00 RARA (0.36) RARARARBRARGNPC1RAB9A
SCHEMBL17816078 1.00 RARA (0.36) RARARARBRARGNPC1RAB9A
SCHEMBL17816077 1.00 RARA (0.36) RARARARBRARGNPC1RAB9A
SCHEMBL17816135 0.94 RARA (0.35) RARARARBRARGNPC1RAB9A
SCHEMBL17816124 0.91 NPC1 (0.46) NPC1RAB9AMAOBLMNACASP3
SCHEMBL17784148 0.90 NPC1 (0.39) RARARARBRARGNPC1RAB9A
SCHEMBL17784094 0.90 NPC1 (0.39) RARARARBRARGNPC1RAB9A
SCHEMBL17784096 0.90 NPC1 (0.39) RARARARBRARGNPC1RAB9A
SCHEMBL17816084 0.89 CYP1A2 (0.37) RARARARBRARGNPC1RAB9A
SCHEMBL17816080 0.89 MAPT (0.40) 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
WO-2016089990-A1 SULFIDE ALKYL AND PYRIDYL REVERSE SULFONAMIDE COMPOUNDS FOR HBV TREATMENT NOVIRA THERAPEUTICS, INC. (US) 2016-06-09 WO disclosed