SCHEMBL3716733

SCHEMBL3716733

O=C(O)c1cn2cc(OCCO)ccc2n1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.48
PTGS2 P35354 1/20 0.48
EGLN1 Q9GZT9 11/20 0.47
GAA P10253 1/20 0.41
ALDH1A1 P00352 1/20 0.39
RECQL P46063 1/20 0.39
DHODH Q02127 1/20 0.38
CYP2C9 P11712 1/20 0.38
NR4A2 P43354 1/20 0.38
KDM4E B2RXH2 2/20 0.37
POLB P06746 1/20 0.37

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
SCHEMBL20705174 0.79 EGLN1 (0.54) PTGS1PTGS2EGLN1GAAALDH1A1
SCHEMBL118584 0.75 MEN1 (0.54) PTGS1PTGS2EGLN1
SCHEMBL14655219 0.73 KDM4E (0.47) PTGS1PTGS2KDM4E
SCHEMBL15223897 0.73 KDM4E (0.44) EGLN1ALDH1A1KDM4EPOLB
SCHEMBL19389656 0.72 MCHR1 (0.47) EGLN1ALDH1A1KDM4E
SCHEMBL28626437 0.72 PTGS1 (0.59) PTGS1PTGS2EGLN1ALDH1A1CYP2C9
SCHEMBL2638074 0.72 PTGS1 (0.59) PTGS1PTGS2EGLN1ALDH1A1KDM4E
SCHEMBL870792 0.72 PTGS1 (0.59) PTGS1PTGS2EGLN1
SCHEMBL9753842 0.72 PTGS1 (0.59) PTGS1PTGS2EGLN1GAAALDH1A1
SCHEMBL3718312 0.71 GAA (0.39) PTGS1PTGS2EGLN1GAACYP2C9

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
WO-2010126745-A1 SUBSTITUTED IMIDAZO[1,2-A]PYRIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE AS β-SECRETASE INHIBITORS HIGH POINT PHARMACEUTICALS, LLC (US) 2010-11-04 WO disclosed