SCHEMBL5814715

SCHEMBL5814715

COCCn1c(C)cc(C(=O)C[S])c1C

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.60
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58
SMN1; SMN2 Q16637 8/20 0.56
TP53 P04637 4/20 0.56
MITF O75030 2/20 0.56
NOD1 Q9Y239 2/20 0.56
NPC1 O15118 9/20 0.55
RAB9A P51151 9/20 0.55
TNF P01375 1/20 0.55
LMNA P02545 4/20 0.54
GALR3 O60755 1/20 0.54
HTT P42858 1/20 0.54
TDP1 Q9NUW8 1/20 0.53
ALDH1A1 P00352 2/20 0.52
L3MBTL1 Q9Y468 1/20 0.52

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
SCHEMBL5814719 0.85 KDM4E (0.60) KDM4EMEN1KMT2ASMN1; SMN2TP53
SCHEMBL25062551 0.83 KDM4E (0.60) KDM4EMEN1KMT2ASMN1; SMN2TP53
SCHEMBL27896049 0.81 KDM4E (0.55) KDM4EMEN1KMT2ASMN1; SMN2TP53
SCHEMBL11489960 0.79 KDM4E (0.53) KDM4EMEN1KMT2ASMN1; SMN2TP53
SCHEMBL11488692 0.79 KDM4E (0.56) KDM4EMEN1KMT2ASMN1; SMN2TP53
SCHEMBL25062548 0.77 KDM4E (0.51) KDM4EMEN1KMT2ASMN1; SMN2TP53
SCHEMBL11494664 0.77 RAB9A (0.59) KDM4EMEN1KMT2ASMN1; SMN2TP53
SCHEMBL11493351 0.75 NOD1 (0.59) KDM4EMEN1KMT2ASMN1; SMN2TP53
SCHEMBL11488135 0.74 MAPT (0.52) KDM4EMEN1KMT2ASMN1; SMN2TP53
SCHEMBL25062629 0.74 NPC1 (0.49) KDM4EMEN1KMT2ASMN1; SMN2TP53

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-2006093518-A2 THIENYL COMPOUNDS FOR TREATING VIRUS-RELATED CONDITIONS APATH, LLC (US) 2006-09-08 WO disclosed