SCHEMBL6205639

SCHEMBL6205639

C=C(N)C(=O)OC(=O)c1ccccc1C#N

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.43
ALDH1A1 P00352 4/20 0.39
KDM4E B2RXH2 1/20 0.39
GAA P10253 4/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
LMNA P02545 3/20 0.35
PPIA P62937 1/20 0.35
TSHR P16473 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
POLB P06746 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MEN1 O00255 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
CA12 O43570 2/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA9 Q16790 2/20 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
SCHEMBL6207031 0.79 CES2 (0.47) MAPTALDH1A1GAALMNANPC1
SCHEMBL6207827 0.77 HPGD (0.52) MAPTALDH1A1KDM4EGAASMN1; SMN2
SCHEMBL514996 0.76 MAPT (0.46) MAPTALDH1A1KDM4EGAASMN1; SMN2
SCHEMBL6205116 0.76 NPC1 (0.50) MAPTALDH1A1SMN1; SMN2LMNANPC1
SCHEMBL6206781 0.76 RAB9A (0.50) MAPTALDH1A1KDM4EGAASMN1; SMN2
SCHEMBL4067136 0.75 MAPT (0.41) MAPTALDH1A1KDM4EGAASMN1; SMN2
SCHEMBL262368 0.74 NPC1 (0.58) MAPTALDH1A1KDM4EGAASMN1; SMN2
SCHEMBL27976004 0.73 MAPT (0.43) MAPTALDH1A1KDM4EGAASMN1; SMN2
SCHEMBL6208809 0.73 HPGD (0.51) MAPTALDH1A1GAASMN1; SMN2TSHR
SCHEMBL28884212 0.73 MAPT (0.44) MAPTALDH1A1KDM4EGAASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1532128-A1 INHIBITORS OF HCV NS5B POLYMERASE Pharmacia & Upjohn Company LLC (US) 2005-05-25 EP disclosed
WO-2004002977-A1 INHIBITORS OF HCV NS5B POLYMERASE PHARMACIA & UPJOHN COMPANY LLC (US) 2004-01-08 WO disclosed