SCHEMBL19351872

SCHEMBL19351872

O=C(Nc1ccnc(Cl)c1)c1ccc(Cl)c(S)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
HDAC4 P56524 1/20 0.52
SMARCA2 P51531 5/20 0.51
SMARCA4 P51532 4/20 0.51
MAPT P10636 2/20 0.51
KDM4E B2RXH2 1/20 0.51
NPC1 O15118 1/20 0.51
PKM P14618 1/20 0.51
RAB9A P51151 1/20 0.51
KCNQ3 O43525 4/20 0.50
KCNQ2 O43526 4/20 0.50
KCNE1 P15382 4/20 0.50
KCNQ1 P51787 4/20 0.50
LMNA P02545 1/20 0.47
POLB P06746 1/20 0.47
MAPK1 P28482 1/20 0.47
KCNQ5 Q9NR82 1/20 0.46
TYK2 P29597 2/20 0.44
JAK2 O60674 1/20 0.44

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
SCHEMBL28577238 0.80 SMARCA2 (0.56) MEN1KMT2AHDAC4SMARCA2SMARCA4
SCHEMBL123501 0.78 KCNQ3 (0.64) MEN1KMT2AHDAC4SMARCA2SMARCA4
SCHEMBL28821933 0.78 JAK2 (0.63) MEN1KMT2AHDAC4SMARCA2SMARCA4
SCHEMBL16430855 0.77 KCNQ3 (0.66) MEN1KMT2ANPC1RAB9AKCNQ3
SCHEMBL4250912 0.76 KCNQ3 (0.70) HDAC4SMARCA2SMARCA4MAPTKCNQ3
SCHEMBL24771257 0.76 NPC1 (0.65) MEN1KMT2AMAPTKDM4ENPC1
SCHEMBL20774335 0.76 NPC1 (0.57) MEN1KMT2AMAPTKDM4ENPC1
SCHEMBL14051567 0.76 NPC1 (0.60) MEN1KMT2AHDAC4SMARCA2SMARCA4
SCHEMBL5897217 0.76 LMNA (0.55) MEN1KMT2AMAPTKDM4ENPC1
SCHEMBL5897079 0.75 LMNA (0.54) MEN1KMT2AMAPTKDM4ENPC1

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-2017155844-A1 HEPATITIS B ANTIVIRAL AGENTS ENANTA PHARMACEUTICALS, INC. (US) 2017-09-14 WO disclosed