SCHEMBL18688367

SCHEMBL18688367

CSc1ccc(CNc2ccc(SC)cc2)cc1

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.85
KMT2A Q03164 6/20 0.85
MAPT P10636 6/20 0.85
RAB9A P51151 5/20 0.85
NPC1 O15118 4/20 0.85
CYP1A2 P05177 3/20 0.82
CYP2C9 P11712 3/20 0.82
CYP2C19 P33261 3/20 0.82
RECQL P46063 1/20 0.82
CYP3A4 P08684 2/20 0.81
CYP2D6 P10635 1/20 0.71
TP53 P04637 1/20 0.54
TSHR P16473 1/20 0.54
ALDH1A1 P00352 3/20 0.53
HPGD P15428 3/20 0.53
KDM4E B2RXH2 2/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
POLB P06746 2/20 0.50
GAA P10253 2/20 0.50
ALOX15 P16050 2/20 0.50

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
SCHEMBL4779007 0.91 MEN1 (0.72) MEN1KMT2AMAPTRAB9ANPC1
SCHEMBL5923871 0.91 MEN1 (0.72) MEN1KMT2AMAPTRAB9ANPC1
SCHEMBL5605002 0.90 MEN1 (0.86) MEN1KMT2AMAPTRAB9ANPC1
SCHEMBL856271 0.88 RAB9A (0.71) MEN1KMT2AMAPTRAB9ANPC1
SCHEMBL5923861 0.85 MAPT (0.64) MEN1KMT2AMAPTRAB9ANPC1
SCHEMBL11887733 0.83 CA1 (0.70) MEN1KMT2AMAPTRAB9ANPC1
SCHEMBL4343902 0.79 MAPT (0.60) MEN1KMT2AMAPTRAB9ANPC1
SCHEMBL4347198 0.79 MEN1 (0.63) MEN1KMT2AMAPTRAB9ANPC1
SCHEMBL4349895 0.77 MEN1 (0.57) MEN1KMT2AMAPTRAB9ANPC1
SCHEMBL4349832 0.77 MEN1 (0.62) MEN1KMT2AMAPTRAB9ANPC1

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-2017050990-A1 1,4-DI-(4-METHYLTHIOPHENYL)-3-PHTALOYLAZETIDINE-2-ONE AND THE DERIVATIVES THEREOF UNIVERSITE DE NANTES (FR) 2017-03-30 WO disclosed