SCHEMBL2224907

SCHEMBL2224907

COc1c(C)cc(-c2nc3cnc(SC)nc3o2)cc1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.42
HPGD P15428 6/20 0.34
ALDH1A1 P00352 4/20 0.34
KDM4E B2RXH2 3/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
TP53 P04637 3/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
HSD17B10 Q99714 2/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
APP P05067 1/20 0.33
GAA P10253 1/20 0.33
DHFR P00374 1/20 0.33
PKM P14618 1/20 0.32
MAPT P10636 2/20 0.32
POLB P06746 1/20 0.32
PDGFRB P09619 1/20 0.31
PDGFRA P16234 1/20 0.31
ESR1 P03372 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
SCHEMBL2224775 0.82 S1PR1 (0.48) S1PR1HPGDALDH1A1KDM4EL3MBTL1
SCHEMBL14486070 0.76 PKM (0.34) S1PR1HPGDALDH1A1KDM4EL3MBTL1
SCHEMBL2224839 0.76 PKM (0.34) HPGDALDH1A1KDM4EL3MBTL1PKM
SCHEMBL2146821 0.76 PKM (0.34) HPGDALDH1A1KDM4EL3MBTL1PKM
SCHEMBL15966916 0.75 MAOB (0.43) HPGDALDH1A1KDM4ESMN1; SMN2HSD17B10
SCHEMBL2228763 0.75 S1PR1 (0.64) S1PR1HPGDALDH1A1KDM4EL3MBTL1
SCHEMBL2225593 0.72 S1PR1 (0.52) S1PR1HPGDALDH1A1KDM4ETP53
SCHEMBL14486171 0.72 APP (0.44) S1PR1HPGDALDH1A1KDM4EL3MBTL1
SCHEMBL2225370 0.72 S1PR1 (0.58) S1PR1HPGDALDH1A1KDM4EL3MBTL1
SCHEMBL14486843 0.71 SMN1; SMN2 (0.40) S1PR1HPGDALDH1A1KDM4EL3MBTL1

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-2523959-A1 HETEROCYCLIC CARBOXYLIC ACID DERIVATIVES HAVING A 2,5,7-SUBSTITUTED OXAZOLOPYRIMIDINE RING SANOFI (FR) 2012-11-21 EP disclosed
WO-2011086078-A1 HETEROCYCLIC CARBOXYLIC ACID DERIVATIVES HAVING A 2,5,7-SUBSTITUTED OXAZOLOPYRIMIDINE RING SANOFI-AVENTIS (FR) 2011-07-21 WO disclosed