SCHEMBL2649161

SCHEMBL2649161

C#Cc1ccccc1-c1c(/C=C/CCC)c(C(C)C)nc(C(C)C)c1C(=O)OCC

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.36
ALDH1A1 P00352 5/20 0.36
LMNA P02545 4/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
APAF1 O14727 1/20 0.36
MITF O75030 1/20 0.36
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
KDM4E B2RXH2 2/20 0.35
HPGD P15428 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
GAA P10253 1/20 0.35
SLC10A2 Q12908 1/20 0.35
TDP2 O95551 1/20 0.34
NSD2 O96028 1/20 0.34
THRB P10828 1/20 0.34
XBP1 P17861 1/20 0.34
HTT P42858 1/20 0.34
GALK1 P51570 1/20 0.34
BLM P54132 1/20 0.34

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
SCHEMBL2649163 1.00 MAPT (0.36) MAPTALDH1A1LMNASMN1; SMN2APAF1
SCHEMBL2648908 0.88 MAPT (0.39) MAPTALDH1A1LMNASMN1; SMN2APAF1
SCHEMBL2648905 0.88 MAPT (0.39) MAPTALDH1A1LMNASMN1; SMN2APAF1
SCHEMBL2648375 0.86 MAPT (0.43) MAPTALDH1A1LMNASMN1; SMN2APAF1
SCHEMBL2650486 0.86 GCGR (0.44) MAPTALDH1A1LMNASMN1; SMN2APAF1
SCHEMBL2650489 0.86 GCGR (0.44) MAPTALDH1A1LMNASMN1; SMN2APAF1
SCHEMBL2648085 0.85 LDHA (0.37) MAPTALDH1A1LMNASMN1; SMN2APAF1
SCHEMBL2648214 0.82 MAPT (0.48) MAPTALDH1A1LMNASMN1; SMN2NPC1
SCHEMBL2648215 0.82 MAPT (0.48) MAPTALDH1A1LMNASMN1; SMN2NPC1
SCHEMBL2648197 0.81 GCGR (0.47) GCGR

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