SCHEMBL5301445

SCHEMBL5301445

COC(=O)c1ccsc1NC(=O)CCc1ccc(-c2ccccn2)cc1

nearest known ligand 0.70

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.70
NPC1 O15118 3/20 0.70
HCAR2 Q8TDS4 3/20 0.58
KDM4E B2RXH2 4/20 0.50
POLB P06746 2/20 0.49
KMT2A Q03164 3/20 0.44
CYP2C8 P10632 1/20 0.44
CYP2C9 P11712 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
MEN1 O00255 2/20 0.44
ALDH1A1 P00352 1/20 0.43
THRB P10828 1/20 0.43
HPGD P15428 1/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
BDKRB1 P46663 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL5294571 0.88 HCAR2 (0.71) RAB9ANPC1HCAR2KDM4EPOLB
SCHEMBL5061069 0.86 RAB9A (0.86) RAB9ANPC1HCAR2KDM4EPOLB
SCHEMBL5309261 0.84 HCAR2 (0.60) RAB9ANPC1HCAR2KMT2ASMN1; SMN2
SCHEMBL14609699 0.83 HCAR2 (0.64) RAB9ANPC1HCAR2KDM4EKMT2A
SCHEMBL5307210 0.79 NPC1 (0.69) RAB9ANPC1HCAR2KDM4EPOLB
SCHEMBL5296521 0.79 NPC1 (0.77) RAB9ANPC1HCAR2KDM4EPOLB
SCHEMBL12646487 0.78 HCAR2 (0.57) HCAR2KDM4ECYP2C9SMN1; SMN2ALDH1A1
SCHEMBL4749629 0.78 NPC1 (0.61) RAB9ANPC1KDM4EPOLBSMN1; SMN2
SCHEMBL5292909 0.77 HCAR2 (0.69) RAB9ANPC1HCAR2KDM4EKMT2A
SCHEMBL4752208 0.75 LMNA (0.69) RAB9ANPC1POLBKMT2ASMN1; SMN2

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-2007015744-A1 DISUBSTITUTED THIENYL COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORPORATION (US) 2007-02-08 WO disclosed