SCHEMBL9260588

SCHEMBL9260588

O=C(Cc1ccccc1C(=O)O)Nc1cccc(/C=C/c2nc(C3CCCC3)cs2)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALB P02768 1/20 0.69
KDM4E B2RXH2 3/20 0.63
MEN1 O00255 3/20 0.63
KMT2A Q03164 3/20 0.63
CYP3A4 P08684 2/20 0.63
HPGD P15428 2/20 0.63
SMN1; SMN2 Q16637 2/20 0.63
MAPT P10636 2/20 0.63
ALDH1A1 P00352 1/20 0.63
TP53 P04637 1/20 0.63
ADRB1 P08588 1/20 0.63
ADORA3 P0DMS8 1/20 0.63
PTGS1 P23219 1/20 0.63
HSD17B10 Q99714 1/20 0.63
HDAC1 Q13547 2/20 0.37
HDAC6 Q9UBN7 2/20 0.37
LMNA P02545 2/20 0.36
CTPS1 P17812 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36

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
SCHEMBL9260599 1.00 ALB (0.69) ALBKDM4EMEN1KMT2ACYP3A4
SCHEMBL9262988 0.99 ALB (0.68) ALBKDM4EMEN1KMT2ACYP3A4
SCHEMBL9265200 0.99 ALB (0.68) ALBKDM4EMEN1KMT2ACYP3A4
SCHEMBL9265625 0.99 ALB (0.68) ALBKDM4EMEN1KMT2ACYP3A4
SCHEMBL9265207 0.99 ALB (0.68) ALBKDM4EMEN1KMT2ACYP3A4
SCHEMBL9265648 0.99 ALB (0.68) ALBKDM4EMEN1KMT2ACYP3A4
SCHEMBL9262981 0.99 ALB (0.68) ALBKDM4EMEN1KMT2ACYP3A4
SCHEMBL9094074 0.98 ALB (0.69) ALBKDM4EMEN1KMT2ACYP3A4
SCHEMBL9094063 0.98 ALB (0.69) ALBKDM4EMEN1KMT2ACYP3A4
SCHEMBL9264856 0.97 ALB (0.68) ALBKDM4EMEN1KMT2ACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0577003-A1 Thiazolylvinylphenyl derivatives F. HOFFMANN-LA ROCHE AG (CH) 1994-01-05 EP claimed
US-5399702-A Leukotriene antagonists; antiasthmatic, antiallergen, and antianaphylactic agents HOFFMANN-LA ROCHE INC. (US) 1995-03-21 US disclosed
EP-0577003-A1 Thiazolylvinylphenyl derivatives F. HOFFMANN-LA ROCHE AG (CH) 1994-01-05 EP disclosed
US-5273986-A A substituted phenylalkyleneamidophenyleneethylene thiazole HOFFMANN-LA ROCHE INC. (US) 1993-12-28 US disclosed