SCHEMBL6279941

SCHEMBL6279941

O=C(O)C1CCC(C(=O)O)N1c1ccncc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 4/20 0.40
ITGA2B P08514 4/20 0.40
NAPRT Q6XQN6 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.37
EPHX1 P07099 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CHKA P35790 1/20 0.36
KDM4E B2RXH2 1/20 0.36
LSS P48449 1/20 0.35
BCHE P06276 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
GAA P10253 1/20 0.35
USP2 O75604 1/20 0.35
CYP3A4 P08684 1/20 0.35
RECQL P46063 1/20 0.35
CYP2C9 P11712 1/20 0.35
TSHR P16473 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
SCHEMBL7918841 0.75 SMN1; SMN2 (0.50) ITGB3ITGA2BALDH1A1MAPTHSD17B10
SCHEMBL6703929 0.75 SMN1; SMN2 (0.50) ITGB3ITGA2BALDH1A1MAPTHSD17B10
SCHEMBL28860254 0.74 SMN1; SMN2 (0.46) ITGB3ALDH1A1KMT2A
SCHEMBL6173007 0.74 SMN1; SMN2 (0.46) ITGB3ITGA2BALDH1A1MAPTHSD17B10
SCHEMBL13707538 0.73 NAPRT (0.35) ITGB3ITGA2BNAPRTL3MBTL1ALDH1A1
SCHEMBL1981859 0.73 ACE (0.43) EPHX1ALDH1A1MEN1KMT2AGAA
SCHEMBL1981363 0.73 ACE (0.43) EPHX1ALDH1A1MEN1KMT2AGAA
SCHEMBL1981863 0.73 ACE (0.43) EPHX1ALDH1A1MEN1KMT2AGAA
SCHEMBL742952 0.70 ITGB3 (0.60) ITGB3ITGA2BHSD17B10CHKAKDM4E
SCHEMBL29514498 0.69 NOTUM (0.51) ITGB3ITGA2BHSD17B10CHKALSS

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
JP-2005132746-A PYRIDYLPYRROLIDINEDICARBOXAMIDE DERIVATIVE TOKUYAMA CORP 2005-05-26 JP disclosed