SCHEMBL4786426

SCHEMBL4786426

COc1ccc(-c2csc(NC(=O)/C=C/C=C/c3ccc4c(c3)OCCO4)n2)cc1F

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 10/20 0.59
MAPT P10636 10/20 0.59
KDM4E B2RXH2 6/20 0.59
LMNA P02545 5/20 0.59
KMT2A Q03164 10/20 0.55
MEN1 O00255 9/20 0.55
ALDH1A1 P00352 7/20 0.55
POLB P06746 5/20 0.55
HTT P42858 2/20 0.55
HPGD P15428 1/20 0.54
RECQL P46063 1/20 0.54
CDC25A P30304 1/20 0.53
CDC25B P30305 1/20 0.53
CDC25C P30307 1/20 0.53
DUSP3 P51452 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.52
RAB9A P51151 9/20 0.50
NPC1 O15118 7/20 0.50
NFKB1 P19838 2/20 0.50
NFKB2 Q00653 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
SCHEMBL4785620 0.91 KMT2A (0.59) SMN1; SMN2MAPTKDM4ELMNAKMT2A
SCHEMBL4749961 0.88 MEN1 (0.56) SMN1; SMN2MAPTKDM4ELMNAKMT2A
SCHEMBL4787032 0.88 SMN1; SMN2 (0.66) SMN1; SMN2MAPTKDM4ELMNAKMT2A
SCHEMBL4788085 0.88 MAPT (0.61) SMN1; SMN2MAPTKDM4ELMNAKMT2A
SCHEMBL4785626 0.86 SMN1; SMN2 (0.78) SMN1; SMN2MAPTKDM4ELMNAKMT2A
SCHEMBL4786962 0.81 KMT2A (0.58) SMN1; SMN2MAPTKDM4ELMNAKMT2A
SCHEMBL4786953 0.81 KMT2A (0.58) SMN1; SMN2MAPTKDM4ELMNAKMT2A
SCHEMBL4786960 0.81 KMT2A (0.58) SMN1; SMN2MAPTKDM4ELMNAKMT2A
SCHEMBL4788500 0.81 MAPT (0.69) SMN1; SMN2MAPTKDM4ELMNAKMT2A
SCHEMBL4788498 0.81 MAPT (0.69) SMN1; SMN2MAPTKDM4ELMNAKMT2A

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