SCHEMBL4788085

SCHEMBL4788085

COc1ccc(-c2csc(NC(=O)/C=C/C=C/c3ccc4c(c3)OCCO4)n2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.61
SMN1; SMN2 Q16637 9/20 0.61
LMNA P02545 7/20 0.61
KDM4E B2RXH2 6/20 0.61
MEN1 O00255 8/20 0.61
KMT2A Q03164 8/20 0.61
HTT P42858 3/20 0.61
HPGD P15428 2/20 0.61
RECQL P46063 1/20 0.61
ALDH1A1 P00352 6/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
GSTO1 P78417 2/20 0.55
PARP1 P09874 1/20 0.54
TRPV1 Q8NER1 1/20 0.52
RAB9A P51151 7/20 0.52
POLB P06746 2/20 0.52
NPC1 O15118 5/20 0.52
NFKB1 P19838 1/20 0.52
NFKB2 Q00653 1/20 0.52
RELA Q04206 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
SCHEMBL4788500 0.94 MAPT (0.69) MAPTSMN1; SMN2LMNAKDM4EMEN1
SCHEMBL4788498 0.94 MAPT (0.69) MAPTSMN1; SMN2LMNAKDM4EMEN1
SCHEMBL4788491 0.94 MAPT (0.69) MAPTSMN1; SMN2LMNAKDM4EMEN1
SCHEMBL4787032 0.90 SMN1; SMN2 (0.66) MAPTSMN1; SMN2LMNAKDM4EMEN1
SCHEMBL4786629 0.88 MAPT (0.78) MAPTSMN1; SMN2LMNAKDM4EMEN1
SCHEMBL4785626 0.88 SMN1; SMN2 (0.78) MAPTSMN1; SMN2LMNAKDM4EMEN1
SCHEMBL4786640 0.88 MAPT (0.78) MAPTSMN1; SMN2LMNAKDM4EMEN1
SCHEMBL4788877 0.88 MAPT (0.59) MAPTSMN1; SMN2LMNAKDM4EMEN1
SCHEMBL4785620 0.88 KMT2A (0.59) MAPTSMN1; SMN2LMNAKDM4EMEN1
SCHEMBL4786426 0.88 SMN1; SMN2 (0.59) MAPTSMN1; SMN2LMNAKDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008124000-A2 THIAZOLE DERIVATIVES AS ANDROGEN RECEPTOR MODULATOR COMPOUNDS LIGAND PHARMACEUTICALS INCORPORATED (US) 2008-10-16 WO claimed
WO-2008124000-A2 THIAZOLE DERIVATIVES AS ANDROGEN RECEPTOR MODULATOR COMPOUNDS LIGAND PHARMACEUTICALS INCORPORATED (US) 2008-10-16 WO disclosed
WO-2008124000-A2 THIAZOLE DERIVATIVES AS ANDROGEN RECEPTOR MODULATOR COMPOUNDS LIGAND PHARMACEUTICALS INCORPORATED (US) 2008-10-16 WO disclosed