SCHEMBL2648085

SCHEMBL2648085

CCCC=Cc1c(C(C)C)nc(C(C)C)c(C(=O)OCC)c1-c1ccccc1C(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.37
ALDH1A1 P00352 6/20 0.36
MAPT P10636 4/20 0.36
LMNA P02545 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
APAF1 O14727 1/20 0.36
MITF O75030 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
HPGD P15428 3/20 0.35
KDM4E B2RXH2 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
SLC5A1 P13866 1/20 0.35
SLC5A2 P31639 1/20 0.35
NPC1 O15118 3/20 0.35
NPSR1 Q6W5P4 3/20 0.35
RAB9A P51151 2/20 0.35
GAA P10253 1/20 0.35
SLC10A2 Q12908 1/20 0.35

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
SCHEMBL2650489 0.88 GCGR (0.44) ALDH1A1MAPTLMNASMN1; SMN2APAF1
SCHEMBL2650486 0.88 GCGR (0.44) ALDH1A1MAPTLMNASMN1; SMN2APAF1
SCHEMBL2648908 0.88 MAPT (0.39) ALDH1A1MAPTLMNASMN1; SMN2APAF1
SCHEMBL2648110 0.88 LDHA (0.40) LDHAALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL2648905 0.88 MAPT (0.39) ALDH1A1MAPTLMNASMN1; SMN2APAF1
SCHEMBL2649163 0.85 MAPT (0.36) ALDH1A1MAPTLMNASMN1; SMN2APAF1
SCHEMBL2649161 0.85 MAPT (0.36) ALDH1A1MAPTLMNASMN1; SMN2APAF1
SCHEMBL2648083 0.83 MAPT (0.41) ALDH1A1MAPTLMNASMN1; SMN2L3MBTL1
SCHEMBL2649051 0.82 MAPT (0.45) ALDH1A1MAPTLMNASMN1; SMN2L3MBTL1
SCHEMBL2648214 0.82 MAPT (0.48) ALDH1A1MAPTLMNASMN1; SMN2HPGD

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
US-6218431-B1 GLUCAGON RECEPTOR ANTAGONISTS FOR THERAPY OF DIABETES AND CONDITIONS ASSOCIATED WITH DIABETES BAYER CORPORATION 2001-04-17 US disclosed