SCHEMBL2650190

SCHEMBL2650190

O=Cc1ccc(OCc2cc(F)cc(F)c2)c2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.43
MAPT P10636 3/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
DHFR P00374 1/20 0.40
DCPS Q96C86 1/20 0.40
AKR1C3 P42330 1/20 0.40
ERN1 O75460 1/20 0.40
TDP1 Q9NUW8 2/20 0.39
KMT2A Q03164 1/20 0.39
MAOA P21397 2/20 0.39
MAOB P27338 2/20 0.39
ALDH1A1 P00352 3/20 0.39
LMNA P02545 2/20 0.39
MRGPRX4 Q96LA9 1/20 0.39
FABP4 P15090 1/20 0.38
HPGD P15428 2/20 0.37
ALOX12 P18054 1/20 0.37
NTSR1 P30989 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
SCHEMBL3271842 0.89 MAOB (0.52) SMN1; SMN2MAPTL3MBTL1NPC1RAB9A
SCHEMBL3269606 0.87 SMN1; SMN2 (0.47) SMN1; SMN2MAPTL3MBTL1NPC1RAB9A
SCHEMBL3269301 0.83 MAPT (0.59) SMN1; SMN2MAPTL3MBTL1NPC1RAB9A
SCHEMBL2648036 0.82 MAPT (0.48) SMN1; SMN2MAPTL3MBTL1NPC1RAB9A
SCHEMBL3267168 0.80 MRGPRX4 (0.43) SMN1; SMN2MAPTL3MBTL1NPC1RAB9A
SCHEMBL3267969 0.80 ALDH1A1 (0.47) KMT2AMAOBALDH1A1HPGDGSK3B
SCHEMBL3268166 0.78 ALDH1A1 (0.49) SMN1; SMN2MAPTL3MBTL1NPC1RAB9A
SCHEMBL2664414 0.78 KMT2A (0.49) SMN1; SMN2MAPTL3MBTL1NPC1RAB9A
SCHEMBL3272664 0.78 ENPP2 (0.52) SMN1; SMN2MAPTL3MBTL1NPC1RAB9A
SCHEMBL2663789 0.78 PTPN1 (0.45) SMN1; SMN2MAPTL3MBTL1NPC1RAB9A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1267281-A Glucagon antagonists/inverse agonists NOVO NORDISK AS (DK) 2000-09-20 CN disclosed
EP-0994848-A1 GLUCAGON ANTAGONISTS/INVERSE AGONISTS NOVO NORDISK A/S (DK) 2000-04-26 EP disclosed
WO-1999001423-A1 GLUCAGON ANTAGONISTS/INVERSE AGONISTS NOVO NORDISK A/S (DK) 1999-01-14 WO disclosed
WO-1999001423-A1 GLUCAGON ANTAGONISTS/INVERSE AGONISTS NOVO NORDISK A/S (DK) 1999-01-14 WO disclosed