SCHEMBL2224638

SCHEMBL2224638

Cc1cncc(Oc2ncc3nc(-c4cc(C)c([O])c(C)c4)oc3n2)c1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.48
ALDH1A1 P00352 1/20 0.30
TP53 P04637 1/20 0.30
HPGD P15428 1/20 0.30
NFKB1 P19838 1/20 0.30
NFKB2 Q00653 1/20 0.30
RELA Q04206 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HSD17B10 Q99714 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL2225550 0.89 S1PR1 (0.56) S1PR1ALDH1A1TP53HSD17B10
SCHEMBL2224494 0.89 S1PR1 (0.47) S1PR1ALDH1A1TP53HPGDHSD17B10
SCHEMBL2227168 0.86 S1PR1 (0.52) S1PR1ALDH1A1TP53HPGDNFKB1
SCHEMBL2224156 0.85 S1PR1 (0.47) S1PR1ALDH1A1TP53HPGDHSD17B10
SCHEMBL14796988 0.84 S1PR1 (0.70) S1PR1ALDH1A1TP53SMN1; SMN2
SCHEMBL2222401 0.83 S1PR1 (0.49) S1PR1ALDH1A1TP53HPGDSMN1; SMN2
SCHEMBL2222853 0.82 S1PR1 (0.58) S1PR1ALDH1A1TP53HPGDSMN1; SMN2
SCHEMBL2224142 0.82 S1PR1 (0.51) S1PR1ALDH1A1TP53HPGDSMN1; SMN2
SCHEMBL2269044 0.81 S1PR1 (0.55) S1PR1ALDH1A1HPGDSMN1; SMN2HSD17B10
SCHEMBL2223341 0.81 S1PR1 (0.54) S1PR1ALDH1A1TP53HPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2523962-A1 CARBOXYLIC ACID DERIVATIVES HAVING A 2,5-SUBSTITUTED OXAZOLOPYRIMIDINE RING SANOFI (FR) 2012-11-21 EP disclosed
WO-2011086079-A1 CARBOXYLIC ACID DERIVATIVES HAVING A 2,5-SUBSTITUTED OXAZOLOPYRIMIDINE RING SANOFI-AVENTIS (FR) 2011-07-21 WO disclosed