SCHEMBL3718312

SCHEMBL3718312

Cc1c(OCCO)ccc2nc(C(=O)O)cn12

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.39
KDM4E B2RXH2 3/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35
EGLN1 Q9GZT9 2/20 0.35
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
KMT2A Q03164 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
RARB P10826 1/20 0.33
RARG P13631 1/20 0.33
TARBP2 Q15633 1/20 0.33

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
SCHEMBL3628721 0.82 KDM4E (0.51) GAAKDM4EL3MBTL1PTGS1PTGS2
SCHEMBL118089 0.77 MEN1 (0.44) L3MBTL1NPC1RAB9AKMT2A
SCHEMBL3498219 0.73 SMN1; SMN2 (0.47) GAAKDM4EEGLN1NPC1RAB9A
SCHEMBL14655219 0.73 KDM4E (0.47) KDM4EL3MBTL1PTGS1PTGS2NPC1
SCHEMBL3340526 0.73 PTGS1 (0.41) GAAKDM4EL3MBTL1PTGS1PTGS2
SCHEMBL3369735 0.73 PTGS1 (0.41) GAAKDM4EL3MBTL1PTGS1PTGS2
SCHEMBL2086528 0.73 PTGS1 (0.41) GAAKDM4EL3MBTL1PTGS1PTGS2
SCHEMBL3716733 0.71 PTGS1 (0.48) GAAKDM4EPTGS1PTGS2EGLN1
SCHEMBL8605991 0.71 KDM4E (0.47) KDM4EL3MBTL1PTGS1PTGS2
SCHEMBL3367405 0.71 PTGS1 (0.40) GAAKDM4EPTGS1PTGS2NPC1

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