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SCHEMBL15899786

SCHEMBL15899786

COc1ccc(CNC(=O)Oc2cnc(-c3ccccc3)nc2)cc1OC

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.60
▸ ALDH1A1 P00352 3/20 0.52
▸ MEN1 O00255 3/20 0.50
▸ KMT2A Q03164 3/20 0.50
▸ BCHE P06276 1/20 0.48
▸ ACHE P22303 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48
▸ POLB P06746 1/20 0.48
▸ NOD2 Q9HC29 1/20 0.47

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
SCHEMBL4727807 0.85 SMN1; SMN2 (0.74) SMN1; SMN2ALDH1A1MEN1KMT2ABCHE
SCHEMBL15899810 0.83 HPGDS (0.65) KMT2A
SCHEMBL15899768 0.80 EPHX1 (0.53) BCHE
SCHEMBL1247002 0.78 SMN1; SMN2 (0.73) SMN1; SMN2ALDH1A1BCHEACHE
SCHEMBL15899850 0.78 HPGDS (0.46) SMN1; SMN2ALDH1A1
SCHEMBL15899884 0.77 HPGDS (0.48) SMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL6027500 0.77 SMN1; SMN2 (0.48) SMN1; SMN2ALDH1A1KMT2APOLB
SCHEMBL17194791 0.75 SMN1; SMN2 (1.00) SMN1; SMN2
SCHEMBL582322 0.74 SMN1; SMN2 (0.85) SMN1; SMN2ALDH1A1
SCHEMBL20766321 0.74 ALDH1A1 (0.56) SMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1937652-B1 PYRIMIDINE AMIDE COMPOUNDS AS PGDS INHIBITORS AVENTIS PHARMA INC (US) 2014-07-30 — — EP claimed