SCHEMBL6629583

SCHEMBL6629583

C=CCN(C(=O)Cc1ccc(F)cc1F)c1csc(-c2ccccc2)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 1/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.34
HCRTR1 O43613 1/20 0.34
IDE P14735 1/20 0.34
LMNA P02545 2/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34
TP53 P04637 1/20 0.34
KDM4E B2RXH2 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
ALDH1A1 P00352 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
TSHR P16473 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC6 Q9UBN7 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
SCHEMBL6625661 0.82 PDPK1 (0.39) KMT2ASMN1; SMN2IDELMNAPOLB
SCHEMBL2157530 0.81 POLB (0.39) KMT2AMEN1POLBMAPTTP53
SCHEMBL3812670 0.79 TP53 (0.34) KMT2ASMN1; SMN2LMNAPOLBMAPT
SCHEMBL2158006 0.78 RIPK1 (0.41) KMT2AMEN1TP53PTGER1L3MBTL1
SCHEMBL2157926 0.77 RAB9A (0.39) MAPK8KMT2AMEN1SMN1; SMN2IDE
SCHEMBL2158024 0.77 MC4R (0.41) MAPK8SMN1; SMN2IDELMNAPOLB
SCHEMBL6629855 0.76 SMN1; SMN2 (0.36) KMT2AMEN1SMN1; SMN2IDELMNA
SCHEMBL6629369 0.76 ALDH1A1 (0.39) KMT2AMEN1HCRTR1POLBTP53
SCHEMBL2157748 0.76 LTB4R2 (0.48) KMT2AMEN1HCRTR1TP53PTGDR2
SCHEMBL2158059 0.76 RIPK1 (0.40) KMT2AMEN1TP53KDM4EALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1401825-A2 THIOPHENE DERIVATIVES AS ANTIVIRAL AGENTS FOR FLAVIVIRUS INFECTION Shire Biochem Inc. (CA) 2004-03-31 EP disclosed
WO-2002100851-A2 THIOPHENE DERIVATIVES AS ANTIVIRAL AGENTS FOR FLAVIVIRUS INFECTION SHIRE BIOCHEM INC. (CA) 2002-12-19 WO disclosed