SCHEMBL4787032

SCHEMBL4787032

O=C(/C=C/C=C/c1ccc2c(c1)OCCO2)Nc1nc(-c2ccc3c(c2)OCCO3)cs1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 14/20 0.66
MAPT P10636 10/20 0.66
LMNA P02545 8/20 0.66
KDM4E B2RXH2 5/20 0.66
KMT2A Q03164 9/20 0.65
MEN1 O00255 8/20 0.65
HTT P42858 2/20 0.65
HPGD P15428 1/20 0.65
RECQL P46063 1/20 0.65
RAB9A P51151 12/20 0.60
NPC1 O15118 10/20 0.60
ALDH1A1 P00352 5/20 0.60
NFKB1 P19838 3/20 0.60
NFKB2 Q00653 3/20 0.60
RELA Q04206 3/20 0.60
GSTO1 P78417 1/20 0.60
POLB P06746 3/20 0.59
GAA P10253 1/20 0.58
CLK1 P49759 2/20 0.57
CDC25A P30304 1/20 0.55

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
SCHEMBL4785626 0.92 SMN1; SMN2 (0.78) SMN1; SMN2MAPTLMNAKDM4EKMT2A
SCHEMBL4785620 0.90 KMT2A (0.59) SMN1; SMN2MAPTLMNAKDM4EKMT2A
SCHEMBL4788085 0.90 MAPT (0.61) SMN1; SMN2MAPTLMNAKDM4EKMT2A
SCHEMBL4787765 0.89 SMN1; SMN2 (0.64) SMN1; SMN2MAPTLMNAKDM4EKMT2A
SCHEMBL4786426 0.88 SMN1; SMN2 (0.59) SMN1; SMN2MAPTLMNAKDM4EKMT2A
SCHEMBL4788841 0.85 SMN1; SMN2 (0.62) SMN1; SMN2MAPTLMNAKDM4EKMT2A
SCHEMBL4788679 0.84 SMN1; SMN2 (0.54) SMN1; SMN2MAPTLMNAKDM4EKMT2A
SCHEMBL4788500 0.83 MAPT (0.69) SMN1; SMN2MAPTLMNAKDM4EKMT2A
SCHEMBL4788498 0.83 MAPT (0.69) SMN1; SMN2MAPTLMNAKDM4EKMT2A
SCHEMBL4788491 0.83 MAPT (0.69) SMN1; SMN2MAPTLMNAKDM4EKMT2A

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